[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[2-(4-propoxyphenyl)quinolin-4-yl]methanone

Systemtic Name: [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[2-(4-propoxyphenyl)quinolin-4-yl]methanone Openeye Name: [(3R,5R)-3,5-dimethyl-1-piperidyl]-[2-(4-propoxyphenyl)-4-quinolyl]methanone CAS Name: [(3R,5R)-3,5-dimethyl-1-piperidinyl]-[2-(4-propoxyphenyl)-4-quinolinyl]methanone IUPAC Name: [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[2-(4-propoxyphenyl)quinolin-4-yl]methanone Traditional Name: [(3R,5R)-3,5-dimethylpiperidino]-[2-(4-propoxyphenyl)-4-quinolyl]methanone Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC(CC(C4)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C[C@@H](C[C@H](C4)C)C

InChI

InChI=1S/C26H30N2O2/c1-4-13-30-21-11-9-20(10-12-21)25-15-23(22-7-5-6-8-24(22)27-25)26(29)28-16-18(2)14-19(3)17-28/h5-12,15,18-19H,4,13-14,16-17H2,1-3H3/t18-,19-/m1/s1