(3-methylphenyl)methyl 3-[4-(4-methoxyphenyl)-3-oxidanylidene-quinoxalin-2-yl]propanoate

Systemtic Name: (3-methylphenyl)methyl 3-[4-(4-methoxyphenyl)-3-oxidanylidene-quinoxalin-2-yl]propanoate Openeye Name: m-tolylmethyl 3-[4-(4-methoxyphenyl)-3-oxo-quinoxalin-2-yl]propanoate CAS Name: 3-[4-(4-methoxyphenyl)-3-oxo-2-quinoxalinyl]propanoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate Traditional Name: 3-[3-keto-4-(4-methoxyphenyl)quinoxalin-2-yl]propionic acid (3-methylbenzyl) ester Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H24N2O4/c1-18-6-5-7-19(16-18)17-32-25(29)15-14-23-26(30)28(20-10-12-21(31-2)13-11-20)24-9-4-3-8-22(24)27-23/h3-13,16H,14-15,17H2,1-2H3