methyl 3-[(3S,4R)-1-cycloheptyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-1-cycloheptyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-cycloheptyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidyl]propanoate CAS Name: 3-[(3S,4R)-1-cycloheptyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-cycloheptyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-cycloheptyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidyl]propionic acid methyl ester Formula: C27H42N2O4 MolecularWeight: 458.63338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCN(CC3CCC(=O)OC)C4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@@H]3CCN(C[C@@H]3CCC(=O)OC)C4CCCCCC4)OC

InChI

InChI=1S/C27H42N2O4/c1-31-25-16-20-12-14-29(19-22(20)17-26(25)32-2)24-13-15-28(23-8-6-4-5-7-9-23)18-21(24)10-11-27(30)33-3/h16-17,21,23-24H,4-15,18-19H2,1-3H3/t21-,24+/m0/s1