1-[(2,5-dimethoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(4-isopropylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(4-propan-2-ylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-p-cumenyl-methyl]nipecotic acid Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-16(2)17-7-9-18(10-8-17)23(25-13-5-6-19(15-25)24(26)27)21-14-20(28-3)11-12-22(21)29-4/h7-12,14,16,19,23H,5-6,13,15H2,1-4H3,(H,26,27)