2-cyclobutylcarbonyl-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one

Systemtic Name: 2-cyclobutylcarbonyl-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one Openeye Name: 2-(cyclobutanecarbonyl)-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one CAS Name: 2-[cyclobutyl(oxo)methyl]-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one IUPAC Name: 2-(cyclobutanecarbonyl)-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one Traditional Name: 2-(cyclobutanecarbonyl)-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C23CCN(CC2CCC(=O)C3)C(=O)C4CCC4

Isomeric SMILES

COC1=CC=CC(=C1)C23CCN(CC2CCC(=O)C3)C(=O)C4CCC4

InChI

InChI=1S/C21H27NO3/c1-25-19-7-3-6-16(12-19)21-10-11-22(20(24)15-4-2-5-15)14-17(21)8-9-18(23)13-21/h3,6-7,12,15,17H,2,4-5,8-11,13-14H2,1H3