ethyl (3S)-1-[(2,4-dimethoxyphenyl)carbamoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2,4-dimethoxyphenyl)carbamoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2,4-dimethoxyphenyl)carbamoyl]-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(2,4-dimethoxyanilino)-oxomethyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2,4-dimethoxyphenyl)carbamoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2,4-dimethoxyphenyl)carbamoyl]-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C25H32N2O5 MolecularWeight: 440.53198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)NC2=C(C=C(C=C2)OC)OC)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)NC2=C(C=C(C=C2)OC)OC)CC3=CC=CC=C3C

InChI

InChI=1S/C25H32N2O5/c1-5-32-23(28)25(16-19-10-7-6-9-18(19)2)13-8-14-27(17-25)24(29)26-21-12-11-20(30-3)15-22(21)31-4/h6-7,9-12,15H,5,8,13-14,16-17H2,1-4H3,(H,26,29)/t25-/m0/s1