1-[(4-dimethylaminophenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(3-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-m-phenetyl-methyl]nipecotic acid Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=C(C=C2)N(C)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=C(C=C2)N(C)C)N3CCCC(C3)C(=O)O

InChI

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