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

Systemtic Name: (3S,5S)-5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[(2-methylphenyl)methyl]piperidin-2-one Openeye Name: (3S,5S)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(o-tolylmethyl)piperidin-2-one CAS Name: (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2-methylphenyl)methyl]-2-piperidinone IUPAC Name: (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2-methylphenyl)methyl]piperidin-2-one Traditional Name: (3S,5S)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(2-methylbenzyl)-2-piperidone Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2CC(CNC2=O)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C[C@@H]2C[C@H](CNC2=O)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C25H31NO3/c1-17-7-3-4-8-18(17)13-20-14-21(16-26-25(20)27)19-11-12-23(28-2)24(15-19)29-22-9-5-6-10-22/h3-4,7-8,11-12,15,20-22H,5-6,9-10,13-14,16H2,1-2H3,(H,26,27)/t20-,21-/m1/s1