3-methoxy-4-[2-oxidanylidene-2-[[phenyl-(2-piperidin-1-ylphenyl)methyl]amino]ethyl]benzoic acid

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-[[phenyl-(2-piperidin-1-ylphenyl)methyl]amino]ethyl]benzoic acid Openeye Name: 3-methoxy-4-[2-oxo-2-[[phenyl-[2-(1-piperidyl)phenyl]methyl]amino]ethyl]benzoic acid CAS Name: 3-methoxy-4-[2-oxo-2-[[phenyl-[2-(1-piperidinyl)phenyl]methyl]amino]ethyl]benzoic acid IUPAC Name: 3-methoxy-4-[2-oxo-2-[[phenyl-(2-piperidin-1-ylphenyl)methyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-keto-2-[[phenyl-(2-piperidinophenyl)methyl]amino]ethyl]-3-methoxy-benzoic acid Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3N4CCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3N4CCCCC4

InChI

InChI=1S/C28H30N2O4/c1-34-25-18-22(28(32)33)15-14-21(25)19-26(31)29-27(20-10-4-2-5-11-20)23-12-6-7-13-24(23)30-16-8-3-9-17-30/h2,4-7,10-15,18,27H,3,8-9,16-17,19H2,1H3,(H,29,31)(H,32,33)