3-(1,3-benzodioxol-5-yl)-1-[4-[4-(2-methylpropyl)phenyl]carbonylpiperidin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[4-(2-methylpropyl)phenyl]carbonylpiperidin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-isobutylbenzoyl)-1-piperidyl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[[4-(2-methylpropyl)phenyl]-oxomethyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-isobutylbenzoyl)piperidino]propan-1-one Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H31NO4/c1-18(2)15-19-3-7-21(8-4-19)26(29)22-11-13-27(14-12-22)25(28)10-6-20-5-9-23-24(16-20)31-17-30-23/h3-5,7-9,16,18,22H,6,10-15,17H2,1-2H3