[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[[4-(1,1-dimethylpropyl)cyclohexyl]amino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[(4-tert-amylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C23H30N2O4/c1-4-23(2,3)16-9-11-17(12-10-16)24-20(26)14-29-22(28)19-13-15-7-5-6-8-18(15)21(27)25-19/h5-8,13,16-17H,4,9-12,14H2,1-3H3,(H,24,26)(H,25,27)