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

Systemtic Name: 4-[[4-(azepan-1-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(azepan-1-yl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(1-azepanyl)anilino]-4-oxobutanoate IUPAC Name: 4-[4-(azepan-1-yl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(azepan-1-yl)anilino]-4-keto-butyrate Formula: C16H21N2O3- MolecularWeight: 289.34954

Click to see the large picture

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)/p-1