3-[(2Z)-4-methyl-2-[[3-oxidanylidene-5-(phenylmethyl)-1,2-dihydropyrazol-4-yl]methylidene]pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[(2Z)-4-methyl-2-[[3-oxidanylidene-5-(phenylmethyl)-1,2-dihydropyrazol-4-yl]methylidene]pyrrol-3-yl]propanoic acid Openeye Name: 3-[(2Z)-2-[(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)methylene]-4-methyl-pyrrol-3-yl]propanoic acid CAS Name: 3-[(2Z)-4-methyl-2-[[3-oxo-5-(phenylmethyl)-1,2-dihydropyrazol-4-yl]methylidene]-3-pyrrolyl]propanoic acid IUPAC Name: 3-[(2Z)-2-[(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid Traditional Name: 3-[(2Z)-2-[(3-benzyl-5-keto-3-pyrazolin-4-yl)methylene]-4-methyl-pyrrol-3-yl]propionic acid Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C(NNC2=O)CC3=CC=CC=C3)N=C1)CCC(=O)O

Isomeric SMILES

CC1=C(/C(=C/C2=C(NNC2=O)CC3=CC=CC=C3)/N=C1)CCC(=O)O

InChI

InChI=1S/C19H19N3O3/c1-12-11-20-16(14(12)7-8-18(23)24)10-15-17(21-22-19(15)25)9-13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3,(H,23,24)(H2,21,22,25)/b16-10-