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

Systemtic Name: 3-[5-ethoxycarbonyl-4-methyl-2-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[5-ethoxycarbonyl-4-methyl-2-[(E)-(2-oxoindolin-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-ethoxycarbonyl-4-methyl-2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-ethoxycarbonyl-4-methyl-2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-carbethoxy-2-[(E)-(2-ketoindolin-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5/c1-3-27-20(26)18-11(2)12(8-9-17(23)24)16(21-18)10-14-13-6-4-5-7-15(13)22-19(14)25/h4-7,10,21H,3,8-9H2,1-2H3,(H,22,25)(H,23,24)/b14-10+