ethyl 8-(2-oxidanylidenepropylamino)-5-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 8-(2-oxidanylidenepropylamino)-5-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 8-(acetonylamino)-5-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 8-(2-oxopropylamino)-5-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(2-oxopropylamino)-5-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 8-(acetonylamino)-5-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C=CC(=C2C1)NCC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC2=C(C=CC(=C2C1)NCC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-3-26-21(25)23-12-11-18-17(16-7-5-4-6-8-16)9-10-20(19(18)14-23)22-13-15(2)24/h4-10,22H,3,11-14H2,1-2H3