ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-3-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-3-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-3,4-dihydroisoquinolin-3-yl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-3,4-dihydroisoquinolin-3-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-3,4-dihydroisoquinolin-3-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[(1-keto-2-piperonyl-3,4-dihydroisoquinolin-3-yl)carbamoyl]cyclohexanecarboxylic acid ethyl ester Formula: C27H30N2O6 MolecularWeight: 478.5369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C(=O)NC2CC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C(=O)NC2CC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H30N2O6/c1-2-33-27(32)19-10-8-18(9-11-19)25(30)28-24-14-20-5-3-4-6-21(20)26(31)29(24)15-17-7-12-22-23(13-17)35-16-34-22/h3-7,12-13,18-19,24H,2,8-11,14-16H2,1H3,(H,28,30)