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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-11-9-14(20(25)26)17(22-11)10-15-18-13(12-5-7-21-8-6-12)3-2-4-16(18)23-19(15)24/h2-4,9-10,12,21-22H,5-8H2,1H3,(H,23,24)(H,25,26)/b15-10+