dimethyl (E)-2-benzamido-3-(3-phenylquinoxalin-2-yl)but-2-enedioate

Systemtic Name: dimethyl (E)-2-benzamido-3-(3-phenylquinoxalin-2-yl)but-2-enedioate Openeye Name: dimethyl (E)-2-benzamido-3-(3-phenylquinoxalin-2-yl)but-2-enedioate CAS Name: (E)-2-benzamido-3-(3-phenyl-2-quinoxalinyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-benzamido-3-(3-phenylquinoxalin-2-yl)but-2-enedioate Traditional Name: (E)-2-benzamido-3-(3-phenylquinoxalin-2-yl)but-2-enedioic acid dimethyl ester Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C(=O)OC)NC(=O)C1=CC=CC=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

Isomeric SMILES

COC(=O)/C(=C(\C(=O)OC)/NC(=O)C1=CC=CC=C1)/C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

InChI

InChI=1S/C27H21N3O5/c1-34-26(32)21(24(27(33)35-2)30-25(31)18-13-7-4-8-14-18)23-22(17-11-5-3-6-12-17)28-19-15-9-10-16-20(19)29-23/h3-16H,1-2H3,(H,30,31)/b24-21+