2-[5-(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonyl-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[5-(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonyl-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[5-(2-isopropyl-5-methyl-cyclohexoxy)carbonyl-1,3-dioxo-4H-isoquinolin-4-yl]acetic acid CAS Name: 2-[5-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-oxomethyl]-1,3-dioxo-4H-isoquinolin-4-yl]acetic acid IUPAC Name: 2-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonyl-1,3-dioxo-4H-isoquinolin-4-yl]acetic acid Traditional Name: 2-[5-(2-isopropyl-5-methyl-cyclohexoxy)carbonyl-1,3-diketo-4H-isoquinolin-4-yl]acetic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=CC3=C2C(C(=O)NC3=O)CC(=O)O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC=CC3=C2C(C(=O)NC3=O)CC(=O)O)C(C)C

InChI

InChI=1S/C22H27NO6/c1-11(2)13-8-7-12(3)9-17(13)29-22(28)15-6-4-5-14-19(15)16(10-18(24)25)21(27)23-20(14)26/h4-6,11-13,16-17H,7-10H2,1-3H3,(H,24,25)(H,23,26,27)