940475-24-1
(E)-4-OXO-4-(3-([(TETRAHYDRO-2-FURANYLMETHYL)-AMINO]CARBONYL)ANILINO)-2-BUTENOIC ACID
Name(E)-4-OXO-4-(3-([(TETRAHYDRO-2-FURANYLMETHYL)-AMINO]CARBONYL)ANILINO)-2-BUTENOIC ACID
1Identification
【Name】
(E)-4-OXO-4-(3-([(TETRAHYDRO-2-FURANYLMETHYL)-AMINO]CARBONYL)ANILINO)-2-BUTENOIC ACID
【CAS】
【MDL】
MFCD09441761
【English Synonyms】
【Formula】
C16 H18 N2 O5
【MolWeight】
318.327
【Inchi】
InChI=1S/C16H18N2O5/c19-14(6-7-15(20)21)18-12-4-1-3-11(9-12)16(22)17-10-13-5-2-8-23-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H,17,22)(H,18,19)(H,20,21)/b7-6+
【InChIKey】
InChIKey=DAFSCTZJTKKQFA-VOTSOKGWSA-N
【SMILES】
c1cc(cc(c1)NC(=O)/C=C/C(=O)O)C(=O)NCC2CCCO2
【MOL File】
(E)-4-OXO-4-(3-([(TE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-4-OXO-4-(3-([(TETRAHYDRO-2-FURANYLMETHYL)-AMINO]CARBONYL)ANILINO)-2-BUTENOIC ACID.cml