ethyl 4-oxidanylidene-4-[[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]butanoate Openeye Name: ethyl 4-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-oxo-butanoate CAS Name: 4-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-oxobutanoate Traditional Name: 4-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-keto-butyric acid ethyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC2=C(CCN(C2)C(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC2=C(CCN(C2)C(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C22H24N2O4/c1-2-28-21(26)11-10-20(25)23-19-9-8-16-12-13-24(15-18(16)14-19)22(27)17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H,23,25)