ethyl 3-[[2-methyl-3-(1-methylindol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-methyl-3-(1-methylindol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]benzoate CAS Name: 3-[[[2-methyl-3-(1-methyl-3-indolyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-keto-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinoline-4-carbonyl]amino]benzoic acid ethyl ester Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C29H27N3O4/c1-4-36-29(35)18-10-9-11-19(16-18)30-27(33)25-21-13-5-6-14-22(21)28(34)32(3)26(25)23-17-31(2)24-15-8-7-12-20(23)24/h5-17,25-26H,4H2,1-3H3,(H,30,33)