1-phenylethyl 2-[4-(2-azanyl-2-oxidanylidene-ethyl)-7-oxidanylidene-1-phenyl-3,6-dihydro-2H-azepin-6-yl]ethanoate

Systemtic Name: 1-phenylethyl 2-[4-(2-azanyl-2-oxidanylidene-ethyl)-7-oxidanylidene-1-phenyl-3,6-dihydro-2H-azepin-6-yl]ethanoate Openeye Name: 1-phenylethyl 2-[4-(2-amino-2-oxo-ethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetate CAS Name: 2-[4-(2-amino-2-oxoethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 2-[4-(2-amino-2-oxoethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetate Traditional Name: 2-[4-(2-amino-2-keto-ethyl)-7-keto-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid 1-phenylethyl ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)CC2C=C(CCN(C2=O)C3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1)OC(=O)CC2C=C(CCN(C2=O)C3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C24H26N2O4/c1-17(19-8-4-2-5-9-19)30-23(28)16-20-14-18(15-22(25)27)12-13-26(24(20)29)21-10-6-3-7-11-21/h2-11,14,17,20H,12-13,15-16H2,1H3,(H2,25,27)