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

Systemtic Name: 2-[2,4-dimethyl-5-[(E)-(2-oxidanylidene-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]ethanoic acid Openeye Name: 2-[2,4-dimethyl-5-[(E)-[2-oxo-4-(4-piperidyl)indolin-3-ylidene]methyl]-1H-pyrrol-3-yl]acetic acid CAS Name: 2-[2,4-dimethyl-5-[(E)-[2-oxo-4-(4-piperidinyl)-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]acetic acid IUPAC Name: 2-[2,4-dimethyl-5-[(E)-(2-oxo-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]acetic acid Traditional Name: 2-[5-[(E)-[2-keto-4-(4-piperidyl)indolin-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]acetic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CC(=O)O)C)C=C2C3=C(C=CC=C3NC2=O)C4CCNCC4

Isomeric SMILES

CC1=C(NC(=C1CC(=O)O)C)/C=C/2\C3=C(C=CC=C3NC2=O)C4CCNCC4

InChI

InChI=1S/C22H25N3O3/c1-12-16(11-20(26)27)13(2)24-19(12)10-17-21-15(14-6-8-23-9-7-14)4-3-5-18(21)25-22(17)28/h3-5,10,14,23-24H,6-9,11H2,1-2H3,(H,25,28)(H,26,27)/b17-10+