ethyl (1S,2R,8aS)-3-azanyl-2,4-dicyano-1-phenyl-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate

Systemtic Name: ethyl (1S,2R,8aS)-3-azanyl-2,4-dicyano-1-phenyl-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate Openeye Name: ethyl (1S,2R,8aS)-3-amino-2,4-dicyano-1-phenyl-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate CAS Name: (1S,2R,8aS)-3-amino-2,4-dicyano-1-phenyl-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,8aS)-3-amino-2,4-dicyano-1-phenyl-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate Traditional Name: (1S,2R,8aS)-3-amino-2,4-dicyano-1-phenyl-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylic acid ethyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2CCCC=C2C(=C1N)C#N)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)[C@@]1([C@@H]([C@@H]2CCCC=C2C(=C1N)C#N)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H21N3O2/c1-2-26-20(25)21(13-23)18(14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(12-22)19(21)24/h3-5,8-10,16,18H,2,6-7,11,24H2,1H3/t16-,18-,21-/m1/s1