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

Systemtic Name: 3-[5-ethoxycarbonyl-4-methyl-2-[(E)-(4-methyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[5-ethoxycarbonyl-4-methyl-2-[(E)-(4-methyl-2-oxo-indolin-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-ethoxycarbonyl-4-methyl-2-[(E)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-ethoxycarbonyl-4-methyl-2-[(E)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-carbethoxy-2-[(E)-(2-keto-4-methyl-indolin-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-4-28-21(27)19-12(3)13(8-9-17(24)25)16(22-19)10-14-18-11(2)6-5-7-15(18)23-20(14)26/h5-7,10,22H,4,8-9H2,1-3H3,(H,23,26)(H,24,25)/b14-10+