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

Systemtic Name: methyl 4-(2-azanyl-3-cyano-6-propyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3-cyano-6-propyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate CAS Name: 4-(2-amino-3-cyano-6-propyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-cyano-6-propyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-6-propyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O2/c1-3-4-13-5-10-18-16(11-13)19(17(12-22)20(23)24-18)14-6-8-15(9-7-14)21(25)26-2/h6-9,13H,3-5,10-11H2,1-2H3,(H2,23,24)