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

Systemtic Name: 3-[2,4-dimethyl-5-[(E)-(2-oxidanylidene-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2,4-dimethyl-5-[(E)-[2-oxo-4-(4-piperidyl)indolin-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2,4-dimethyl-5-[(E)-[2-oxo-4-(4-piperidinyl)-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2,4-dimethyl-5-[(E)-(2-oxo-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-[(E)-[2-keto-4-(4-piperidyl)indolin-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propionic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)O)C)C=C2C3=C(C=CC=C3NC2=O)C4CCNCC4

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)O)C)/C=C/2\C3=C(C=CC=C3NC2=O)C4CCNCC4

InChI

InChI=1S/C23H27N3O3/c1-13-16(6-7-21(27)28)14(2)25-20(13)12-18-22-17(15-8-10-24-11-9-15)4-3-5-19(22)26-23(18)29/h3-5,12,15,24-25H,6-11H2,1-2H3,(H,26,29)(H,27,28)/b18-12+