ethyl (4S,4aS,8aR)-8a-(2-dimethylaminoethyl)-2-methyl-3-oxidanylidene-4,4a,5,8-tetrahydro-1H-isoquinoline-4-carboxylate

Systemtic Name: ethyl (4S,4aS,8aR)-8a-(2-dimethylaminoethyl)-2-methyl-3-oxidanylidene-4,4a,5,8-tetrahydro-1H-isoquinoline-4-carboxylate Openeye Name: ethyl (4S,4aS,8aR)-8a-(2-dimethylaminoethyl)-2-methyl-3-oxo-4,4a,5,8-tetrahydro-1H-isoquinoline-4-carboxylate CAS Name: (4S,4aS,8aR)-8a-(2-dimethylaminoethyl)-2-methyl-3-oxo-4,4a,5,8-tetrahydro-1H-isoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,4aS,8aR)-8a-(2-dimethylaminoethyl)-2-methyl-3-oxo-4,4a,5,8-tetrahydro-1H-isoquinoline-4-carboxylate Traditional Name: (4S,4aS,8aR)-8a-(2-dimethylaminoethyl)-3-keto-2-methyl-4,4a,5,8-tetrahydro-1H-isoquinoline-4-carboxylic acid ethyl ester Formula: C17H28N2O3 MolecularWeight: 308.41582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CC=CCC2(CN(C1=O)C)CCN(C)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]2CC=CC[C@@]2(CN(C1=O)C)CCN(C)C

InChI

InChI=1S/C17H28N2O3/c1-5-22-16(21)14-13-8-6-7-9-17(13,10-11-18(2)3)12-19(4)15(14)20/h6-7,13-14H,5,8-12H2,1-4H3/t13-,14-,17-/m0/s1