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

Systemtic Name: [2-cyclopentyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] quinoxaline-2-carboxylate Openeye Name: [2-cyclopentyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-7-isoquinolyl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [2-cyclopentyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-cyclopentyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxoisoquinolin-7-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [2-cyclopentyl-6,8-diketo-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-7-isoquinolyl] ester Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCC3)C=CCOC)OC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCC3)/C=C/COC)OC(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H27N3O5/c1-28(36-27(34)24-16-29-22-11-5-6-12-23(22)30-24)25(32)15-18-14-20(10-7-13-35-2)31(17-21(18)26(28)33)19-8-3-4-9-19/h5-7,10-12,14-17,19H,3-4,8-9,13H2,1-2H3/b10-7+