4-[[3-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(azepane-1-carbonyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[3-[1-azepanyl(oxo)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-(azepane-1-carbonyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[3-(azepane-1-carbonyl)anilino]-4-keto-butyric acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c20-15(8-9-16(21)22)18-14-7-5-6-13(12-14)17(23)19-10-3-1-2-4-11-19/h5-7,12H,1-4,8-11H2,(H,18,20)(H,21,22)