ethyl (E)-4-oxidanylidene-4-[1-[(phenylmethyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[1-[(phenylmethyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-enoate Openeye Name: ethyl (E)-4-[1-(benzylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[1-[oxo-[(phenylmethyl)amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[1-(benzylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-[1-(benzylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-keto-but-2-enoic acid ethyl ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)N1CCC2=CC=CC=C2C1C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/C(=O)N1CCC2=CC=CC=C2C1C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4/c1-2-29-21(27)13-12-20(26)25-15-14-18-10-6-7-11-19(18)22(25)23(28)24-16-17-8-4-3-5-9-17/h3-13,22H,2,14-16H2,1H3,(H,24,28)/b13-12+