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

Systemtic Name: [2-cyclohexyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] quinoxaline-2-carboxylate Openeye Name: [2-cyclohexyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-7-isoquinolyl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [2-cyclohexyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-cyclohexyl-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxoisoquinolin-7-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [2-cyclohexyl-6,8-diketo-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-7-isoquinolyl] ester Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCCC3)C=CCOC)OC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCCC3)/C=C/COC)OC(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C29H29N3O5/c1-29(37-28(35)25-17-30-23-12-6-7-13-24(23)31-25)26(33)16-19-15-21(11-8-14-36-2)32(18-22(19)27(29)34)20-9-4-3-5-10-20/h6-8,11-13,15-18,20H,3-5,9-10,14H2,1-2H3/b11-8+