methyl 2-[(4-tert-butylcyclohexyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(4-tert-butylcyclohexyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(4-tert-butylcyclohexanecarbonyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(4-tert-butylcyclohexyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylcyclohexanecarbonyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[(4-tert-butylcyclohexanecarbonyl)amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C22H28N2O4/c1-22(2,3)15-11-9-14(10-12-15)19(25)23-24-13-18(21(27)28-4)16-7-5-6-8-17(16)20(24)26/h5-8,13-15H,9-12H2,1-4H3,(H,23,25)