1-[(2-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]nipecotic acid Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O)OC)OC

InChI

InChI=1S/C23H29NO6/c1-27-18-10-6-5-9-16(18)20(24-13-7-8-15(14-24)23(25)26)17-11-12-19(28-2)22(30-4)21(17)29-3/h5-6,9-12,15,20H,7-8,13-14H2,1-4H3,(H,25,26)