1-[(3-ethoxy-4-methoxy-phenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(o-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(2-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(o-tolyl)methyl]pipecolinic acid Formula: C23H29NO4 MolecularWeight: 383.48066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2C)N3CCCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2C)N3CCCCC3C(=O)O)OC

InChI

InChI=1S/C23H29NO4/c1-4-28-21-15-17(12-13-20(21)27-3)22(18-10-6-5-9-16(18)2)24-14-8-7-11-19(24)23(25)26/h5-6,9-10,12-13,15,19,22H,4,7-8,11,14H2,1-3H3,(H,25,26)