methyl (2S)-2-[[(1R,4R)-4-methyl-3-oxidanylidene-4-(4-oxidanylidenepentyl)cyclohexyl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[(1R,4R)-4-methyl-3-oxidanylidene-4-(4-oxidanylidenepentyl)cyclohexyl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[(1R,4R)-4-methyl-3-oxo-4-(4-oxopentyl)cyclohexanecarbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[(1R,4R)-4-methyl-3-oxo-4-(4-oxopentyl)cyclohexyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[(1R,4R)-4-methyl-3-oxo-4-(4-oxopentyl)cyclohexanecarbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[(1R,4R)-3-keto-4-(4-ketopentyl)-4-methyl-cyclohexanecarbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC1(CCC(CC1=O)C(=O)NC(C2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CC(=O)CCC[C@@]1(CC[C@H](CC1=O)C(=O)N[C@@H](C2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C22H29NO5/c1-15(24)8-7-12-22(2)13-11-17(14-18(22)25)20(26)23-19(21(27)28-3)16-9-5-4-6-10-16/h4-6,9-10,17,19H,7-8,11-14H2,1-3H3,(H,23,26)/t17-,19+,22-/m1/s1