1-(cyclohexylamino)-7-methoxycarbonyl-2-methyl-5-oxidanylidene-3,4-dihydro-2H-azepine-6-carboxylic acid

Systemtic Name: 1-(cyclohexylamino)-7-methoxycarbonyl-2-methyl-5-oxidanylidene-3,4-dihydro-2H-azepine-6-carboxylic acid Openeye Name: 1-(cyclohexylamino)-7-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydro-2H-azepine-6-carboxylic acid CAS Name: 1-(cyclohexylamino)-7-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydro-2H-azepine-6-carboxylic acid IUPAC Name: 1-(cyclohexylamino)-7-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydro-2H-azepine-6-carboxylic acid Traditional Name: 7-carbomethoxy-1-(cyclohexylamino)-5-keto-2-methyl-3,4-dihydro-2H-azepine-6-carboxylic acid Formula: C16H24N2O5 MolecularWeight: 324.37216

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)C(=C(N1NC2CCCCC2)C(=O)OC)C(=O)O

Isomeric SMILES

CC1CCC(=O)C(=C(N1NC2CCCCC2)C(=O)OC)C(=O)O

InChI

InChI=1S/C16H24N2O5/c1-10-8-9-12(19)13(15(20)21)14(16(22)23-2)18(10)17-11-6-4-3-5-7-11/h10-11,17H,3-9H2,1-2H3,(H,20,21)