214601-17-9
3-[(1R)-3-[BIS(1-METHYLETHYL)AMINO]-1-PHENYLPROPYL]-4-HYDROXY-BENZOIC ACID METHYL ESTER
Name3-[(1R)-3-[BIS(1-METHYLETHYL)AMINO]-1-PHENYLPROPYL]-4-HYDROXY-BENZOIC ACID METHYL ESTER
1Identification
【Name】
3-[(1R)-3-[BIS(1-METHYLETHYL)AMINO]-1-PHENYLPROPYL]-4-HYDROXY-BENZOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD18207203
【English Synonyms】
【Formula】
C23 H31 N O3
【MolWeight】
369.502
【Inchi】
InChI=1S/C23H31NO3/c1-16(2)24(17(3)4)14-13-20(18-9-7-6-8-10-18)21-15-19(23(26)27-5)11-12-22(21)25/h6-12,15-17,20,25H,13-14H2,1-5H3/t20-/m1/s1
【InChIKey】
InChIKey=LAPCBEFVTNSDFY-HXUWFJFHSA-N
【SMILES】
CC(C)N(CC[C@H](c1ccccc1)c2cc(ccc2O)C(=O)OC)C(C)C
【MOL File】
3-[(1R)-3-[BIS(1-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[(1R)-3-[BIS(1-METHYLETHYL)AMINO]-1-PHENYLPROPYL]-4-HYDROXY-BENZOIC ACID METHYL ESTER.cml