1-[(4-acetamidophenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-acetamidophenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-acetamidophenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-acetamidophenyl)-(4-dimethylaminophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-acetamidophenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-acetamidophenyl)-(4-dimethylaminophenyl)methyl]isonipecotic acid Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H29N3O3/c1-16(27)24-20-8-4-17(5-9-20)22(18-6-10-21(11-7-18)25(2)3)26-14-12-19(13-15-26)23(28)29/h4-11,19,22H,12-15H2,1-3H3,(H,24,27)(H,28,29)