ethyl 1-[4,4-dimethyl-6-oxidanylidene-2-(phenethylamino)cyclohexen-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[4,4-dimethyl-6-oxidanylidene-2-(phenethylamino)cyclohexen-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-[4,4-dimethyl-6-oxo-2-(phenethylamino)cyclohexen-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[4,4-dimethyl-6-oxo-2-(phenethylamino)-1-cyclohexenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[4,4-dimethyl-6-oxo-2-(phenethylamino)cyclohexen-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[6-keto-4,4-dimethyl-2-(phenethylamino)cyclohexen-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC=CC=C2C1C3=C(CC(CC3=O)(C)C)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC2=CC=CC=C2C1C3=C(CC(CC3=O)(C)C)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O3/c1-4-33-27(32)30-17-15-21-12-8-9-13-22(21)26(30)25-23(18-28(2,3)19-24(25)31)29-16-14-20-10-6-5-7-11-20/h5-13,26,29H,4,14-19H2,1-3H3