methyl 2-(cyclohexylcarbonylamino)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-(cyclohexylcarbonylamino)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-(cyclohexanecarbonylamino)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclohexanecarbonylamino)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(cyclohexanecarbonylamino)-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3CCCCC3

InChI

InChI=1S/C18H20N2O4/c1-24-18(23)15-11-20(17(22)14-10-6-5-9-13(14)15)19-16(21)12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,19,21)