[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4/c1-18(25-23(29)19-9-5-4-6-10-19)24(30)31-17-22(28)26-20-11-13-21(14-12-20)27-15-7-2-3-8-16-27/h4-6,9-14,18H,2-3,7-8,15-17H2,1H3,(H,25,29)(H,26,28)/t18-/m0/s1