ethyl 4-[[6,7-diethoxy-1-(2-methoxy-2-oxidanylidene-ethyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[6,7-diethoxy-1-(2-methoxy-2-oxidanylidene-ethyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[6,7-diethoxy-1-(2-methoxy-2-oxo-ethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate CAS Name: 4-[[[6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate Traditional Name: 4-[[6,7-diethoxy-1-(2-keto-2-methoxy-ethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoic acid ethyl ester Formula: C26H32N2O7 MolecularWeight: 484.54148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC=C(C=C3)C(=O)OCC)CC(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC=C(C=C3)C(=O)OCC)CC(=O)OC)OCC

InChI

InChI=1S/C26H32N2O7/c1-5-33-22-14-18-12-13-28(21(16-24(29)32-4)20(18)15-23(22)34-6-2)26(31)27-19-10-8-17(9-11-19)25(30)35-7-3/h8-11,14-15,21H,5-7,12-13,16H2,1-4H3,(H,27,31)