methyl 4-(3-azanyl-2,4-dicyano-5,6,7,8-tetrahydronaphthalen-1-yl)benzoate

Systemtic Name: methyl 4-(3-azanyl-2,4-dicyano-5,6,7,8-tetrahydronaphthalen-1-yl)benzoate Openeye Name: methyl 4-(7-amino-6,8-dicyano-tetralin-5-yl)benzoate CAS Name: 4-(3-amino-2,4-dicyano-5,6,7,8-tetrahydronaphthalen-1-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-amino-2,4-dicyano-5,6,7,8-tetrahydronaphthalen-1-yl)benzoate Traditional Name: 4-(7-amino-6,8-dicyano-tetralin-5-yl)benzoic acid methyl ester Formula: C20H17N3O2 MolecularWeight: 331.36788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C(=C(C3=C2CCCC3)C#N)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C(=C(C3=C2CCCC3)C#N)N)C#N

InChI

InChI=1S/C20H17N3O2/c1-25-20(24)13-8-6-12(7-9-13)18-15-5-3-2-4-14(15)16(10-21)19(23)17(18)11-22/h6-9H,2-5,23H2,1H3