1-[(3,5-dimethylphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl-(3,5-dimethylphenyl)methyl]nipecotic acid Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C24H31NO5/c1-15-9-16(2)11-18(10-15)23(25-8-6-7-17(14-25)24(26)27)19-12-21(29-4)22(30-5)13-20(19)28-3/h9-13,17,23H,6-8,14H2,1-5H3,(H,26,27)