ethyl 2-[(1-acetyloxy-2-oxidanylidene-6-phenyl-azepan-3-yl)amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[(1-acetyloxy-2-oxidanylidene-6-phenyl-azepan-3-yl)amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[(1-acetoxy-2-oxo-6-phenyl-azepan-3-yl)amino]-4-phenyl-butanoate CAS Name: 2-[(1-acetyloxy-2-oxo-6-phenyl-3-azepanyl)amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(1-acetyloxy-2-oxo-6-phenylazepan-3-yl)amino]-4-phenylbutanoate Traditional Name: 2-[(1-acetoxy-2-keto-6-phenyl-azepan-3-yl)amino]-4-phenyl-butyric acid ethyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC(CN(C2=O)OC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC(CN(C2=O)OC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5/c1-3-32-26(31)24(16-14-20-10-6-4-7-11-20)27-23-17-15-22(21-12-8-5-9-13-21)18-28(25(23)30)33-19(2)29/h4-13,22-24,27H,3,14-18H2,1-2H3