3-(3-methylphenyl)-2-[(3-oxidanylidene-1H-2-benzofuran-5-yl)amino]propanoic acid

Systemtic Name: 3-(3-methylphenyl)-2-[(3-oxidanylidene-1H-2-benzofuran-5-yl)amino]propanoic acid Openeye Name: 3-(m-tolyl)-2-[(3-oxo-1H-isobenzofuran-5-yl)amino]propanoic acid CAS Name: 3-(3-methylphenyl)-2-[(3-oxo-1H-isobenzofuran-5-yl)amino]propanoic acid IUPAC Name: 3-(3-methylphenyl)-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]propanoic acid Traditional Name: 2-[(3-ketophthalan-5-yl)amino]-3-(m-tolyl)propionic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)O)NC2=CC3=C(COC3=O)C=C2

Isomeric SMILES

CC1=CC(=CC=C1)CC(C(=O)O)NC2=CC3=C(COC3=O)C=C2

InChI

InChI=1S/C18H17NO4/c1-11-3-2-4-12(7-11)8-16(17(20)21)19-14-6-5-13-10-23-18(22)15(13)9-14/h2-7,9,16,19H,8,10H2,1H3,(H,20,21)