methyl 4-[[3-[(Z)-(2-azanyl-3-methyl-5-oxidanylidene-imidazol-4-ylidene)methyl]indol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-[(Z)-(2-azanyl-3-methyl-5-oxidanylidene-imidazol-4-ylidene)methyl]indol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-[(Z)-(2-amino-3-methyl-5-oxo-imidazol-4-ylidene)methyl]indol-1-yl]methyl]benzoate CAS Name: 4-[[3-[(Z)-(2-amino-3-methyl-5-oxo-4-imidazolylidene)methyl]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(Z)-(2-amino-3-methyl-5-oxoimidazol-4-ylidene)methyl]indol-1-yl]methyl]benzoate Traditional Name: 4-[[3-[(Z)-(2-amino-5-keto-3-methyl-2-imidazolin-4-ylidene)methyl]indol-1-yl]methyl]benzoic acid methyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(=O)OC)C(=O)N=C1N

Isomeric SMILES

CN1/C(=C\C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(=O)OC)/C(=O)N=C1N

InChI

InChI=1S/C22H20N4O3/c1-25-19(20(27)24-22(25)23)11-16-13-26(18-6-4-3-5-17(16)18)12-14-7-9-15(10-8-14)21(28)29-2/h3-11,13H,12H2,1-2H3,(H2,23,24,27)/b19-11-