(3S,5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3-cyclopentyloxy-4-methoxy-phenyl)piperidin-2-one

Systemtic Name: (3S,5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3-cyclopentyloxy-4-methoxy-phenyl)piperidin-2-one Openeye Name: (3S,5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]piperidin-2-one CAS Name: (3S,5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-piperidinone IUPAC Name: (3S,5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one Traditional Name: (3S,5S)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-piperonyl-2-piperidone Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(C(=O)NC2)CC3=CC4=C(C=C3)OCO4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2C[C@H](C(=O)NC2)CC3=CC4=C(C=C3)OCO4)OC5CCCC5

InChI

InChI=1S/C25H29NO5/c1-28-21-9-7-17(13-24(21)31-20-4-2-3-5-20)19-12-18(25(27)26-14-19)10-16-6-8-22-23(11-16)30-15-29-22/h6-9,11,13,18-20H,2-5,10,12,14-15H2,1H3,(H,26,27)/t18-,19-/m1/s1