4-[(4Z)-4-[[1-(2-butan-2-yloxy-2-oxidanylidene-ethyl)indol-3-yl]methylidene]-3-ethoxycarbonyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[[1-(2-butan-2-yloxy-2-oxidanylidene-ethyl)indol-3-yl]methylidene]-3-ethoxycarbonyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-ethoxycarbonyl-5-oxo-4-[[1-(2-oxo-2-sec-butoxy-ethyl)indol-3-yl]methylene]pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[1-(2-butan-2-yloxy-2-oxoethyl)-3-indolyl]methylidene]-3-ethoxycarbonyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[1-(2-butan-2-yloxy-2-oxoethyl)indol-3-yl]methylidene]-3-ethoxycarbonyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-3-carbethoxy-5-keto-4-[[1-(2-keto-2-sec-butoxy-ethyl)indol-3-yl]methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C28H27N3O7 MolecularWeight: 517.52988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C(=O)OCC

Isomeric SMILES

CCC(C)OC(=O)CN1C=C(C2=CC=CC=C21)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C(=O)OCC

InChI

InChI=1S/C28H27N3O7/c1-4-17(3)38-24(32)16-30-15-19(21-8-6-7-9-23(21)30)14-22-25(28(36)37-5-2)29-31(26(22)33)20-12-10-18(11-13-20)27(34)35/h6-15,17H,4-5,16H2,1-3H3,(H,34,35)/b22-14-