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

Systemtic Name: 4-methyl-5-[(E)-(2-oxidanylidene-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-methyl-5-[(E)-[2-oxo-4-(4-piperidyl)indolin-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-methyl-5-[(E)-[2-oxo-4-(4-piperidinyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-methyl-5-[(E)-(2-oxo-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[(E)-[2-keto-4-(4-piperidyl)indolin-3-ylidene]methyl]-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1)C(=O)O)C=C2C3=C(C=CC=C3NC2=O)C4CCNCC4

Isomeric SMILES

CC1=C(NC(=C1)C(=O)O)/C=C/2\C3=C(C=CC=C3NC2=O)C4CCNCC4

InChI

InChI=1S/C20H21N3O3/c1-11-9-17(20(25)26)22-16(11)10-14-18-13(12-5-7-21-8-6-12)3-2-4-15(18)23-19(14)24/h2-4,9-10,12,21-22H,5-8H2,1H3,(H,23,24)(H,25,26)/b14-10+