1-[(4-dimethylaminophenyl)-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(2-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-o-phenetyl-methyl]isonipecotic acid Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H30N2O3/c1-4-28-21-8-6-5-7-20(21)22(17-9-11-19(12-10-17)24(2)3)25-15-13-18(14-16-25)23(26)27/h5-12,18,22H,4,13-16H2,1-3H3,(H,26,27)