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

Systemtic Name: 3-[5-ethoxycarbonyl-4-methyl-2-[(E)-(2-oxidanylidene-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[5-ethoxycarbonyl-4-methyl-2-[(E)-[2-oxo-4-(4-pyridyl)indolin-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-ethoxycarbonyl-4-methyl-2-[(E)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-ethoxycarbonyl-4-methyl-2-[(E)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-carbethoxy-2-[(E)-[2-keto-4-(4-pyridyl)indolin-3-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C=C2C3=C(C=CC=C3NC2=O)C4=CC=NC=C4)CCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)/C=C/2\C3=C(C=CC=C3NC2=O)C4=CC=NC=C4)CCC(=O)O)C

InChI

InChI=1S/C25H23N3O5/c1-3-33-25(32)23-14(2)16(7-8-21(29)30)20(27-23)13-18-22-17(15-9-11-26-12-10-15)5-4-6-19(22)28-24(18)31/h4-6,9-13,27H,3,7-8H2,1-2H3,(H,28,31)(H,29,30)/b18-13+