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

Systemtic Name: methyl 2-[[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]benzoate CAS Name: 2-[[[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]benzoate Traditional Name: 2-[[2-cyclohexyl-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carbonyl]amino]benzoic acid methyl ester Formula: C31H32N2O5 MolecularWeight: 512.59618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)NC5=CC=CC=C5C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)NC5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C31H32N2O5/c1-37-22-18-16-20(17-19-22)28-27(29(34)32-26-15-9-8-14-25(26)31(36)38-2)23-12-6-7-13-24(23)30(35)33(28)21-10-4-3-5-11-21/h6-9,12-19,21,27-28H,3-5,10-11H2,1-2H3,(H,32,34)