methyl 2-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-2-oxo-acetate CAS Name: 2-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-2-oxoacetate Traditional Name: 2-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-2-keto-acetic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C=C(C(=C2C1)NC(=O)C(=O)OC)C#N)C3=CC=CC=C3

Isomeric SMILES

CCN1CCC2=C(C=C(C(=C2C1)NC(=O)C(=O)OC)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-3-24-10-9-16-17(14-7-5-4-6-8-14)11-15(12-22)19(18(16)13-24)23-20(25)21(26)27-2/h4-8,11H,3,9-10,13H2,1-2H3,(H,23,25)