4-[(4Z)-3-ethoxy-5-oxidanylidene-4-[[1-(1-oxidanylidene-1-propan-2-yloxy-propan-2-yl)indol-3-yl]methylidene]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-3-ethoxy-5-oxidanylidene-4-[[1-(1-oxidanylidene-1-propan-2-yloxy-propan-2-yl)indol-3-yl]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-ethoxy-4-[[1-(2-isopropoxy-1-methyl-2-oxo-ethyl)indol-3-yl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-ethoxy-5-oxo-4-[[1-(1-oxo-1-propan-2-yloxypropan-2-yl)-3-indolyl]methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-ethoxy-5-oxo-4-[[1-(1-oxo-1-propan-2-yloxypropan-2-yl)indol-3-yl]methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-3-ethoxy-4-[[1-(2-isopropoxy-2-keto-1-methyl-ethyl)indol-3-yl]methylene]-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)C(C)C(=O)OC(C)C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCOC\1=NN(C(=O)/C1=C\C2=CN(C3=CC=CC=C32)C(C)C(=O)OC(C)C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H27N3O6/c1-5-35-24-22(25(31)30(28-24)20-12-10-18(11-13-20)26(32)33)14-19-15-29(17(4)27(34)36-16(2)3)23-9-7-6-8-21(19)23/h6-17H,5H2,1-4H3,(H,32,33)/b22-14-