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

Systemtic Name: methyl 4-(2-azanyl-3-cyano-6-ethyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3-cyano-6-ethyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate CAS Name: 4-(2-amino-3-cyano-6-ethyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-cyano-6-ethyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-6-ethyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O2/c1-3-12-4-9-17-15(10-12)18(16(11-21)19(22)23-17)13-5-7-14(8-6-13)20(24)25-2/h5-8,12H,3-4,9-10H2,1-2H3,(H2,22,23)