2-[(E)-1-(3-methoxy-1H-pyrrol-2-yl)-4-(2-oxidanylidene-1,3-dihydroindol-4-yl)but-1-en-3-yn-2-yl]propanedioic acid

Systemtic Name: 2-[(E)-1-(3-methoxy-1H-pyrrol-2-yl)-4-(2-oxidanylidene-1,3-dihydroindol-4-yl)but-1-en-3-yn-2-yl]propanedioic acid Openeye Name: 2-[(1E)-1-[(3-methoxy-1H-pyrrol-2-yl)methylene]-3-(2-oxoindolin-4-yl)prop-2-ynyl]propanedioic acid CAS Name: 2-[(E)-1-(3-methoxy-1H-pyrrol-2-yl)-4-(2-oxo-1,3-dihydroindol-4-yl)but-1-en-3-yn-2-yl]propanedioic acid IUPAC Name: 2-[(E)-1-(3-methoxy-1H-pyrrol-2-yl)-4-(2-oxo-1,3-dihydroindol-4-yl)but-1-en-3-yn-2-yl]propanedioic acid Traditional Name: 2-[(1E)-3-(2-ketoindolin-4-yl)-1-[(3-methoxy-1H-pyrrol-2-yl)methylene]prop-2-ynyl]malonic acid Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC=C1)C=C(C#CC2=C3CC(=O)NC3=CC=C2)C(C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(NC=C1)/C=C(/C#CC2=C3CC(=O)NC3=CC=C2)\C(C(=O)O)C(=O)O

InChI

InChI=1S/C20H16N2O6/c1-28-16-7-8-21-15(16)9-12(18(19(24)25)20(26)27)6-5-11-3-2-4-14-13(11)10-17(23)22-14/h2-4,7-9,18,21H,10H2,1H3,(H,22,23)(H,24,25)(H,26,27)/b12-9-