4-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-(azepane-1-carbonyl)anilino]-4-oxo-butanoate CAS Name: 4-[2-[1-azepanyl(oxo)methyl]anilino]-4-oxobutanoate IUPAC Name: 4-[2-(azepane-1-carbonyl)anilino]-4-oxobutanoate Traditional Name: 4-[2-(azepane-1-carbonyl)anilino]-4-keto-butyrate Formula: C17H21N2O4- MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H22N2O4/c20-15(9-10-16(21)22)18-14-8-4-3-7-13(14)17(23)19-11-5-1-2-6-12-19/h3-4,7-8H,1-2,5-6,9-12H2,(H,18,20)(H,21,22)/p-1