methyl 4-(2-azanyl-3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate CAS Name: 4-(2-amino-3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C(=NC3=C2CC(CC3)C4=CC=CC=C4)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C(=NC3=C2CC(CC3)C4=CC=CC=C4)N)C#N

InChI

InChI=1S/C24H21N3O2/c1-29-24(28)17-9-7-16(8-10-17)22-19-13-18(15-5-3-2-4-6-15)11-12-21(19)27-23(26)20(22)14-25/h2-10,18H,11-13H2,1H3,(H2,26,27)