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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-13-11-15(5-6-20(26)27)19(24-13)12-17-21-16(14-7-9-23-10-8-14)3-2-4-18(21)25-22(17)28/h2-4,11-12,14,23-24H,5-10H2,1H3,(H,25,28)(H,26,27)/b17-12+