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

Systemtic Name: methyl 4-(2-azanyl-6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-4-yl)benzoate Openeye Name: methyl 4-(2-amino-6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-4-yl)benzoate CAS Name: 4-(2-amino-6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-4-yl)benzoate Traditional Name: 4-(2-amino-6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O2/c1-22(2,3)15-9-10-18-16(11-15)19(17(12-23)20(24)25-18)13-5-7-14(8-6-13)21(26)27-4/h5-8,15H,9-11H2,1-4H3,(H2,24,25)