N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-ethynylphenyl)carbonylpiperidin-3-yl]propanamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-ethynylphenyl)carbonylpiperidin-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-ethynylbenzoyl)-3-piperidyl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(3-ethynylphenyl)-oxomethyl]-3-piperidinyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-ethynylbenzoyl)piperidin-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(3-ethynylbenzoyl)-3-piperidyl]propionamide Formula: C26H30N2O4 MolecularWeight: 434.5274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCCN(C2)C(=O)C3=CC=CC(=C3)C#C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCCN(C2)C(=O)C3=CC=CC(=C3)C#C)OC

InChI

InChI=1S/C26H30N2O4/c1-4-19-7-5-9-21(15-19)26(30)28-14-6-8-20(18-28)10-13-25(29)27-17-22-11-12-23(31-2)16-24(22)32-3/h1,5,7,9,11-12,15-16,20H,6,8,10,13-14,17-18H2,2-3H3,(H,27,29)/t20-/m1/s1