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

Systemtic Name: 1-[(4-dimethylaminophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(2,5-dimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(2,5-dimethylphenyl)methyl]nipecotic acid Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC=C(C=C2)N(C)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC=C(C=C2)N(C)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C23H30N2O2/c1-16-7-8-17(2)21(14-16)22(18-9-11-20(12-10-18)24(3)4)25-13-5-6-19(15-25)23(26)27/h7-12,14,19,22H,5-6,13,15H2,1-4H3,(H,26,27)