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

Systemtic Name: butyl 2-[(1-acetyloxy-2-oxidanylidene-6-phenyl-azepan-3-yl)amino]-4-phenyl-butanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O5/c1-3-4-19-34-28(33)26(17-15-22-11-7-5-8-12-22)29-25-18-16-24(23-13-9-6-10-14-23)20-30(27(25)32)35-21(2)31/h5-14,24-26,29H,3-4,15-20H2,1-2H3