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

Systemtic Name: ethyl (1S,3S,4R)-1-cyano-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C2=CC=CC=C2C(C1OC)N(C)C)C#N

Isomeric SMILES

CCOC(=O)N1[C@@H](C2=CC=CC=C2[C@H]([C@@H]1OC)N(C)C)C#N

InChI

InChI=1S/C16H21N3O3/c1-5-22-16(20)19-13(10-17)11-8-6-7-9-12(11)14(18(2)3)15(19)21-4/h6-9,13-15H,5H2,1-4H3/t13-,14-,15+/m1/s1