(3E)-3-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylidene]-2-oxidanylidene-1H-indole-5-carboxylic acid

Systemtic Name: (3E)-3-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylidene]-2-oxidanylidene-1H-indole-5-carboxylic acid Openeye Name: (3E)-3-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylene]-2-oxo-indoline-5-carboxylic acid CAS Name: (3E)-3-[[2-butyl-3-[(4-carboxyphenyl)methyl]-4-imidazolyl]methylidene]-2-oxo-1H-indole-5-carboxylic acid IUPAC Name: (3E)-3-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylidene]-2-oxo-1H-indole-5-carboxylic acid Traditional Name: (3E)-3-[[2-butyl-3-(4-carboxybenzyl)imidazol-4-yl]methylene]-2-keto-indoline-5-carboxylic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C3C4=C(C=CC(=C4)C(=O)O)NC3=O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C/3\C4=C(C=CC(=C4)C(=O)O)NC3=O

InChI

InChI=1S/C25H23N3O5/c1-2-3-4-22-26-13-18(28(22)14-15-5-7-16(8-6-15)24(30)31)12-20-19-11-17(25(32)33)9-10-21(19)27-23(20)29/h5-13H,2-4,14H2,1H3,(H,27,29)(H,30,31)(H,32,33)/b20-12+