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

Systemtic Name: 4-[(4Z)-4-[[5-acetamido-1-(1-methoxy-1-oxidanylidene-propan-2-yl)indol-3-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[5-acetamido-1-(2-methoxy-1-methyl-2-oxo-ethyl)indol-3-yl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[5-acetamido-1-(1-methoxy-1-oxopropan-2-yl)-3-indolyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[5-acetamido-1-(1-methoxy-1-oxopropan-2-yl)indol-3-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[[5-acetamido-1-(2-keto-2-methoxy-1-methyl-ethyl)indol-3-yl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=C2C=C(C=C3)NC(=O)C)C(C)C(=O)OC)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CN(C3=C2C=C(C=C3)NC(=O)C)C(C)C(=O)OC)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H24N4O6/c1-14-21(24(32)30(28-14)20-8-5-17(6-9-20)25(33)34)11-18-13-29(15(2)26(35)36-4)23-10-7-19(12-22(18)23)27-16(3)31/h5-13,15H,1-4H3,(H,27,31)(H,33,34)/b21-11-