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

Systemtic Name: 3-[4-methyl-5-[(E)-(5-methyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[4-methyl-5-[(E)-(5-methyl-2-oxo-indolin-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[4-methyl-5-[(E)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[4-methyl-5-[(E)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-[(E)-(2-keto-5-methyl-indolin-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C2=CC3=C(C(=CN3)CCC(=O)O)C

Isomeric SMILES

CC1=CC\2=C(C=C1)NC(=O)/C2=C/C3=C(C(=CN3)CCC(=O)O)C

InChI

InChI=1S/C18H18N2O3/c1-10-3-5-15-13(7-10)14(18(23)20-15)8-16-11(2)12(9-19-16)4-6-17(21)22/h3,5,7-9,19H,4,6H2,1-2H3,(H,20,23)(H,21,22)/b14-8+