3-phenylpropyl 4-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[4-(azepane-1-carbonyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-[1-azepanyl(oxo)methyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-(azepane-1-carbonyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(azepane-1-carbonyl)anilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O4/c29-24(16-17-25(30)32-20-8-11-21-9-4-3-5-10-21)27-23-14-12-22(13-15-23)26(31)28-18-6-1-2-7-19-28/h3-5,9-10,12-15H,1-2,6-8,11,16-20H2,(H,27,29)