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

Systemtic Name: ethyl (1R,2R,8aS)-3-azanyl-2,4-dicyano-1-naphthalen-1-yl-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate Openeye Name: ethyl (1R,2R,8aS)-3-amino-2,4-dicyano-1-(1-naphthyl)-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate CAS Name: (1R,2R,8aS)-3-amino-2,4-dicyano-1-(1-naphthalenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R,8aS)-3-amino-2,4-dicyano-1-naphthalen-1-yl-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate Traditional Name: (1R,2R,8aS)-3-amino-2,4-dicyano-1-(1-naphthyl)-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylic acid ethyl ester Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2CCCC=C2C(=C1N)C#N)C3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

CCOC(=O)[C@@]1([C@H]([C@@H]2CCCC=C2C(=C1N)C#N)C3=CC=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C25H23N3O2/c1-2-30-24(29)25(15-27)22(19-13-7-9-16-8-3-4-10-17(16)19)20-12-6-5-11-18(20)21(14-26)23(25)28/h3-4,7-11,13,20,22H,2,5-6,12,28H2,1H3/t20-,22+,25-/m1/s1