4-[(4Z)-4-[[1-(1-methoxy-1-oxidanylidene-butan-2-yl)indol-3-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[[1-(1-methoxy-1-oxidanylidene-butan-2-yl)indol-3-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[1-(1-methoxycarbonylpropyl)indol-3-yl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[1-(1-methoxy-1-oxobutan-2-yl)-3-indolyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[1-(1-methoxy-1-oxobutan-2-yl)indol-3-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[[1-(1-carbomethoxypropyl)indol-3-yl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N1C=C(C2=CC=CC=C21)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CCC(C(=O)OC)N1C=C(C2=CC=CC=C21)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

InChI

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