BENZOIC ACID, 2-[(3R)-3-[[[1-(CARBOXYMETHYL)CYCLOPROPYL]METHYL]THIO]-3-[3-[(1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL]PHENYL]PROPYL]-, 1-METHYL ESTER

CAS No.
851755-56-1
CCD No.
CCD08284161
Formula
C34 H32 Cl N O4 S
MolWeight
586.149

Basic Information

Product Name: BENZOIC ACID, 2-[(3R)-3-[[[1-(CARBOXYMETHYL)CYCLOPROPYL]METHYL]THIO]-3-[3-[(1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL]PHENYL]PROPYL]-, 1-METHYL ESTER
CAS: 851755-56-1
English Synonyms: BENZOIC ACID, 2-[(3R)-3-[[[1-(CARBOXYMETHYL)CYCLOPROPYL]METHYL]THIO]-3-[3-[(1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL]PHENYL]PROPYL]-, 1-METHYL ESTER
MDL Number.: MFCD23380775
H bond acceptor: 5
H bond donor: 1
Smile: COC(=O)c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O
InChi: InChI=1S/C34H32ClNO4S/c1-40-33(39)29-8-3-2-6-24(29)12-16-31(41-22-34(17-18-34)21-32(37)38)26-7-4-5-23(19-26)9-14-28-15-11-25-10-13-27(35)20-30(25)36-28/h2-11,13-15,19-20,31H,12,16-18,21-22H2,1H3,(H,37,38)/b14-9+/t31-/m1/s1
InChiKey: InChIKey=FVMXWBDOMBDOJN-JLBZDQGGSA-N

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