4-(4-methoxyphenyl)-5-[(E)-(2-oxidanylidene-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)-5-[(E)-(2-oxidanylidene-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)-5-[(E)-[2-oxo-4-(4-piperidyl)indolin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)-5-[(E)-[2-oxo-4-(4-piperidinyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)-5-[(E)-(2-oxo-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(E)-[2-keto-4-(4-piperidyl)indolin-3-ylidene]methyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxylic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(NC=C2C(=O)O)C=C3C4=C(C=CC=C4NC3=O)C5CCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(NC=C2C(=O)O)/C=C/3\C4=C(C=CC=C4NC3=O)C5CCNCC5

InChI

InChI=1S/C26H25N3O4/c1-33-17-7-5-16(6-8-17)23-20(26(31)32)14-28-22(23)13-19-24-18(15-9-11-27-12-10-15)3-2-4-21(24)29-25(19)30/h2-8,13-15,27-28H,9-12H2,1H3,(H,29,30)(H,31,32)/b19-13+