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

Systemtic Name: 3-[4-ethoxycarbonyl-5-methyl-2-[(2-oxidanylidene-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[4-ethoxycarbonyl-5-methyl-2-[[2-oxo-4-(4-piperidyl)indolin-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[4-ethoxycarbonyl-5-methyl-2-[[2-oxo-4-(4-piperidinyl)-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[4-ethoxycarbonyl-5-methyl-2-[(2-oxo-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[4-carbethoxy-2-[[2-keto-4-(4-piperidyl)indolin-3-ylidene]methyl]-5-methyl-1H-pyrrol-3-yl]propionic acid Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1CCC(=O)O)C=C2C3=C(C=CC=C3NC2=O)C4CCNCC4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1CCC(=O)O)C=C2C3=C(C=CC=C3NC2=O)C4CCNCC4)C

InChI

InChI=1S/C25H29N3O5/c1-3-33-25(32)22-14(2)27-20(17(22)7-8-21(29)30)13-18-23-16(15-9-11-26-12-10-15)5-4-6-19(23)28-24(18)31/h4-6,13,15,26-27H,3,7-12H2,1-2H3,(H,28,31)(H,29,30)