ethyl 2-[[1-(3-methanoyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[[1-(3-methanoyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[2-(3-formyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]amino]-4-phenyl-butanoate CAS Name: 2-[[1-(3-formyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-(3-formyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[2-(3-formyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C=O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C=O

InChI

InChI=1S/C25H30N2O4/c1-3-31-25(30)23(14-13-19-9-5-4-6-10-19)26-18(2)24(29)27-16-21-12-8-7-11-20(21)15-22(27)17-28/h4-12,17-18,22-23,26H,3,13-16H2,1-2H3