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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(4-isopropylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-p-cumenyl-methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C24H31NO4/c1-16(2)17-8-10-18(11-9-17)22(25-14-12-19(13-15-25)24(26)27)20-6-5-7-21(28-3)23(20)29-4/h5-11,16,19,22H,12-15H2,1-4H3,(H,26,27)