[2-cyclopropyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] quinoxaline-2-carboxylate

Systemtic Name: [2-cyclopropyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] quinoxaline-2-carboxylate Openeye Name: [2-cyclopropyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-7-isoquinolyl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [2-cyclopropyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-cyclopropyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxoisoquinolin-7-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [2-cyclopropyl-6,8-diketo-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-7-isoquinolyl] ester Formula: C26H23N3O5 MolecularWeight: 457.47792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CC3)C=CCOC)OC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CC3)/C=C/COC)OC(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H23N3O5/c1-26(34-25(32)22-14-27-20-7-3-4-8-21(20)28-22)23(30)13-16-12-18(6-5-11-33-2)29(17-9-10-17)15-19(16)24(26)31/h3-8,12-15,17H,9-11H2,1-2H3/b6-5+