(phenylmethyl) 3-[(1-methylcyclohexyl)carbonylamino]-4-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 3-[(1-methylcyclohexyl)carbonylamino]-4-oxidanylidene-pentanoate Openeye Name: benzyl 3-[(1-methylcyclohexanecarbonyl)amino]-4-oxo-pentanoate CAS Name: 3-[[(1-methylcyclohexyl)-oxomethyl]amino]-4-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(1-methylcyclohexanecarbonyl)amino]-4-oxopentanoate Traditional Name: 4-keto-3-[(1-methylcyclohexanecarbonyl)amino]valeric acid benzyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)C2(CCCCC2)C

Isomeric SMILES

CC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)C2(CCCCC2)C

InChI

InChI=1S/C20H27NO4/c1-15(22)17(21-19(24)20(2)11-7-4-8-12-20)13-18(23)25-14-16-9-5-3-6-10-16/h3,5-6,9-10,17H,4,7-8,11-14H2,1-2H3,(H,21,24)