3-[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-quinoxalin-2-yl]propanoic acid

Systemtic Name: 3-[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-quinoxalin-2-yl]propanoic acid Openeye Name: 3-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-quinoxalin-2-yl]propanoic acid CAS Name: 3-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-2-quinoxalinyl]propanoic acid IUPAC Name: 3-[4-[(2,5-dimethylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanoic acid Traditional Name: 3-[4-(2,5-dimethylbenzyl)-3-keto-quinoxalin-2-yl]propionic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3N=C(C2=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3N=C(C2=O)CCC(=O)O

InChI

InChI=1S/C20H20N2O3/c1-13-7-8-14(2)15(11-13)12-22-18-6-4-3-5-16(18)21-17(20(22)25)9-10-19(23)24/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)