4-[(4Z)-4-[[5-azanyl-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-[[5-azanyl-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-[[5-amino-1-(1-methoxycarbonylpropyl)indol-3-yl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[5-amino-1-(1-methoxy-1-oxobutan-2-yl)-3-indolyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[5-amino-1-(1-methoxy-1-oxobutan-2-yl)indol-3-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[[5-amino-1-(1-carbomethoxypropyl)indol-3-yl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H24N4O5 MolecularWeight: 460.48186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N1C=C(C2=C1C=CC(=C2)N)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CCC(C(=O)OC)N1C=C(C2=C1C=CC(=C2)N)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C25H24N4O5/c1-4-21(25(33)34-3)28-13-16(20-12-17(26)7-10-22(20)28)11-19-14(2)27-29(23(19)30)18-8-5-15(6-9-18)24(31)32/h5-13,21H,4,26H2,1-3H3,(H,31,32)/b19-11-