methyl (1S,3S,4R)-1-cyano-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl (1S,3S,4R)-1-cyano-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl (1S,3S,4R)-1-cyano-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1S,3S,4R)-1-cyano-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (1S,3S,4R)-1-cyano-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1S,3S,4R)-1-cyano-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C(N(C(C2=CC=CC=C12)C#N)C(=O)OC)OC

Isomeric SMILES

CN(C)[C@H]1[C@@H](N([C@@H](C2=CC=CC=C12)C#N)C(=O)OC)OC

InChI

InChI=1S/C15H19N3O3/c1-17(2)13-11-8-6-5-7-10(11)12(9-16)18(14(13)20-3)15(19)21-4/h5-8,12-14H,1-4H3/t12-,13-,14+/m1/s1