7-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]-4-(phenylmethyl)-2,3-dihydroquinoxaline-1-carboxylic acid

Systemtic Name: 7-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]-4-(phenylmethyl)-2,3-dihydroquinoxaline-1-carboxylic acid Openeye Name: 4-benzyl-7-[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]-2,3-dihydroquinoxaline-1-carboxylic acid CAS Name: 7-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]-4-(phenylmethyl)-2,3-dihydroquinoxaline-1-carboxylic acid IUPAC Name: 4-benzyl-7-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]-2,3-dihydroquinoxaline-1-carboxylic acid Traditional Name: 4-benzyl-7-[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]-2,3-dihydroquinoxaline-1-carboxylic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C1=CC2=C(C=C1)N(CCN2C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C(\C)/C1=CC2=C(C=C1)N(CCN2C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-3-28-21(25)13-16(2)18-9-10-19-20(14-18)24(22(26)27)12-11-23(19)15-17-7-5-4-6-8-17/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,26,27)/b16-13+