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

Systemtic Name: 4-[[4-(azepan-1-yl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(azepan-1-yl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(1-azepanyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(azepan-1-yl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(azepan-1-yl)anilino]-4-keto-butyric acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c19-15(9-10-16(20)21)17-13-5-7-14(8-6-13)18-11-3-1-2-4-12-18/h5-8H,1-4,9-12H2,(H,17,19)(H,20,21)