2-(4-methoxyphenyl)-6-oxidanylidene-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxylic acid

Systemtic Name: 2-(4-methoxyphenyl)-6-oxidanylidene-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxylic acid Openeye Name: 2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxylic acid CAS Name: 2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)-3-piperidinecarboxylic acid IUPAC Name: 2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxylic acid Traditional Name: 6-keto-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)nipecotic acid Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O

InChI

InChI=1S/C22H25NO7/c1-27-15-7-5-13(6-8-15)20-16(22(25)26)9-10-19(24)23(20)14-11-17(28-2)21(30-4)18(12-14)29-3/h5-8,11-12,16,20H,9-10H2,1-4H3,(H,25,26)