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

Systemtic Name: ethyl (1S,8aR)-4-azanyl-2,3-dicyano-1-(2-methoxyphenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate Openeye Name: ethyl (1S,8aR)-4-amino-2,3-dicyano-1-(2-methoxyphenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate CAS Name: (1S,8aR)-4-amino-2,3-dicyano-1-(2-methoxyphenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,8aR)-4-amino-2,3-dicyano-1-(2-methoxyphenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate Traditional Name: (1S,8aR)-4-amino-2,3-dicyano-1-(2-methoxyphenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylic acid ethyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2CCCC=C2C(=C1C#N)N)C3=CC=CC=C3OC)C#N

Isomeric SMILES

CCOC(=O)C1([C@@H]([C@H]2CCCC=C2C(=C1C#N)N)C3=CC=CC=C3OC)C#N

InChI

InChI=1S/C22H23N3O3/c1-3-28-21(26)22(13-24)17(12-23)20(25)15-9-5-4-8-14(15)19(22)16-10-6-7-11-18(16)27-2/h6-7,9-11,14,19H,3-5,8,25H2,1-2H3/t14-,19-,22?/m0/s1