methyl 4-[[2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxidanylidene-ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-[1-[(4-cyanophenyl)methyl]-3-indolyl]-1,2-dioxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-[1-(4-cyanobenzyl)indol-3-yl]-2-keto-acetyl]amino]benzoic acid methyl ester Formula: C26H19N3O4 MolecularWeight: 437.44676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H19N3O4/c1-33-26(32)19-10-12-20(13-11-19)28-25(31)24(30)22-16-29(23-5-3-2-4-21(22)23)15-18-8-6-17(14-27)7-9-18/h2-13,16H,15H2,1H3,(H,28,31)