(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4,6-dimethyl-2-pyrimidinyl)-N-(4-ethoxyphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-p-phenetyl-nipecotamide Formula: C20H26N4O2 MolecularWeight: 354.44604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H26N4O2/c1-4-26-18-9-7-17(8-10-18)23-19(25)16-6-5-11-24(13-16)20-21-14(2)12-15(3)22-20/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,23,25)/t16-/m0/s1