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

Systemtic Name: 4-(2-carboxyethyl)-2-methyl-5-[(E)-(2-oxidanylidene-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 4-(2-carboxyethyl)-2-methyl-5-[(E)-[2-oxo-4-(4-piperidyl)indolin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid CAS Name: 4-(2-carboxyethyl)-2-methyl-5-[(E)-[2-oxo-4-(4-piperidinyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-(2-carboxyethyl)-2-methyl-5-[(E)-(2-oxo-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Traditional Name: 4-(2-carboxyethyl)-5-[(E)-[2-keto-4-(4-piperidyl)indolin-3-ylidene]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C=C2C3=C(C=CC=C3NC2=O)C4CCNCC4)CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1)/C=C/2\C3=C(C=CC=C3NC2=O)C4CCNCC4)CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H25N3O5/c1-12-20(23(30)31)15(5-6-19(27)28)18(25-12)11-16-21-14(13-7-9-24-10-8-13)3-2-4-17(21)26-22(16)29/h2-4,11,13,24-25H,5-10H2,1H3,(H,26,29)(H,27,28)(H,30,31)/b16-11+