2-azanyl-5-[4-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]benzoic acid

Systemtic Name: 2-azanyl-5-[4-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]benzoic acid Openeye Name: 2-amino-5-[4-(3,4-dimethoxybenzoyl)-1-piperidyl]benzoic acid CAS Name: 2-amino-5-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidinyl]benzoic acid IUPAC Name: 2-amino-5-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]benzoic acid Traditional Name: 2-amino-5-(4-veratroylpiperidino)benzoic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCN(CC2)C3=CC(=C(C=C3)N)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2CCN(CC2)C3=CC(=C(C=C3)N)C(=O)O)OC

InChI

InChI=1S/C21H24N2O5/c1-27-18-6-3-14(11-19(18)28-2)20(24)13-7-9-23(10-8-13)15-4-5-17(22)16(12-15)21(25)26/h3-6,11-13H,7-10,22H2,1-2H3,(H,25,26)