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

Systemtic Name: methyl 4-[(2-methyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2-methyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-4-oxo-butanoate CAS Name: 4-[(2-methyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(2-methyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-methyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]butyric acid methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=CC(=C2C1)NC(=O)CCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1CCC2=C(C=CC(=C2C1)NC(=O)CCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-23-13-12-17-16(15-6-4-3-5-7-15)8-9-19(18(17)14-23)22-20(24)10-11-21(25)26-2/h3-9H,10-14H2,1-2H3,(H,22,24)