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

Systemtic Name: methyl 3-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-3-oxo-propanoate CAS Name: 3-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-3-oxopropanoate Traditional Name: 3-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-3-keto-propionic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-3-25-10-9-17-18(15-7-5-4-6-8-15)11-16(13-23)22(19(17)14-25)24-20(26)12-21(27)28-2/h4-8,11H,3,9-10,12,14H2,1-2H3,(H,24,26)