(3S,5S)-3-[(3-chlorophenyl)methyl]-5-(3-cyclopentyloxy-4-methoxy-phenyl)piperidin-2-one

Systemtic Name: (3S,5S)-3-[(3-chlorophenyl)methyl]-5-(3-cyclopentyloxy-4-methoxy-phenyl)piperidin-2-one Openeye Name: (3S,5S)-3-[(3-chlorophenyl)methyl]-5-[3-(cyclopentoxy)-4-methoxy-phenyl]piperidin-2-one CAS Name: (3S,5S)-3-[(3-chlorophenyl)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-piperidinone IUPAC Name: (3S,5S)-3-[(3-chlorophenyl)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one Traditional Name: (3S,5S)-3-(3-chlorobenzyl)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-piperidone Formula: C24H28ClNO3 MolecularWeight: 413.93702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(C(=O)NC2)CC3=CC(=CC=C3)Cl)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2C[C@H](C(=O)NC2)CC3=CC(=CC=C3)Cl)OC4CCCC4

InChI

InChI=1S/C24H28ClNO3/c1-28-22-10-9-17(14-23(22)29-21-7-2-3-8-21)19-13-18(24(27)26-15-19)11-16-5-4-6-20(25)12-16/h4-6,9-10,12,14,18-19,21H,2-3,7-8,11,13,15H2,1H3,(H,26,27)/t18-,19-/m1/s1