4-[[5-[(E)-(1-aminocarbonyl-2-oxidanylidene-indol-3-ylidene)methyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-[(E)-(1-aminocarbonyl-2-oxidanylidene-indol-3-ylidene)methyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[(E)-(1-carbamoyl-2-oxo-indolin-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[(E)-(1-carbamoyl-2-oxo-3-indolylidene)methyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[(E)-(1-carbamoyl-2-oxoindol-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[(E)-(1-carbamoyl-2-keto-indolin-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C3C4=CC=CC=C4N(C3=O)C(=O)N

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C/3\C4=CC=CC=C4N(C3=O)C(=O)N

InChI

InChI=1S/C25H24N4O4/c1-2-3-8-22-27-14-18(28(22)15-16-9-11-17(12-10-16)24(31)32)13-20-19-6-4-5-7-21(19)29(23(20)30)25(26)33/h4-7,9-14H,2-3,8,15H2,1H3,(H2,26,33)(H,31,32)/b20-13+