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

Systemtic Name: ethyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]amino]-4-oxobutanoate Traditional Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]amino]-4-keto-butyric acid ethyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NCC(C1=CC=C(C=C1)N(C)C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)CCC(=O)NCC(C1=CC=C(C=C1)N(C)C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C25H33N3O3/c1-4-31-25(30)14-13-24(29)26-17-23(20-9-11-22(12-10-20)27(2)3)28-16-15-19-7-5-6-8-21(19)18-28/h5-12,23H,4,13-18H2,1-3H3,(H,26,29)