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

Systemtic Name: 2,4-dimethyl-5-[(E)-(2-oxidanylidene-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 2,4-dimethyl-5-[(E)-[2-oxo-4-(4-piperidyl)indolin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid CAS Name: 2,4-dimethyl-5-[(E)-[2-oxo-4-(4-piperidinyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 2,4-dimethyl-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)O)C)C=C2C3=C(C=CC=C3NC2=O)C4CCNCC4

Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)/C=C/2\C3=C(C=CC=C3NC2=O)C4CCNCC4

InChI

InChI=1S/C21H23N3O3/c1-11-17(23-12(2)18(11)21(26)27)10-15-19-14(13-6-8-22-9-7-13)4-3-5-16(19)24-20(15)25/h3-5,10,13,22-23H,6-9H2,1-2H3,(H,24,25)(H,26,27)/b15-10+