[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanylbenzoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanylbenzoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)O

InChI

InChI=1S/C21H24N2O4/c24-19-7-5-6-16(14-19)21(26)27-15-20(25)22-17-8-10-18(11-9-17)23-12-3-1-2-4-13-23/h5-11,14,24H,1-4,12-13,15H2,(H,22,25)