1-[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[(3S)-3-(3,4-dimethoxybenzoyl)-1-piperidyl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[(3S)-3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 3-phenyl-1-[(3S)-3-veratroylpiperidino]prop-2-yn-1-one Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)C#CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCCN(C2)C(=O)C#CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H23NO4/c1-27-20-12-11-18(15-21(20)28-2)23(26)19-9-6-14-24(16-19)22(25)13-10-17-7-4-3-5-8-17/h3-5,7-8,11-12,15,19H,6,9,14,16H2,1-2H3/t19-/m0/s1