methyl (2S,3S)-3-benzamido-2-chloranyl-4-cyclohexyl-butanoate

Systemtic Name: methyl (2S,3S)-3-benzamido-2-chloranyl-4-cyclohexyl-butanoate Openeye Name: methyl (2S,3S)-3-benzamido-2-chloro-4-cyclohexyl-butanoate CAS Name: (2S,3S)-3-benzamido-2-chloro-4-cyclohexylbutanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-benzamido-2-chloro-4-cyclohexylbutanoate Traditional Name: (2S,3S)-3-benzamido-2-chloro-4-cyclohexyl-butyric acid methyl ester Formula: C18H24ClNO3 MolecularWeight: 337.84106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CC1CCCCC1)NC(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

COC(=O)[C@H]([C@H](CC1CCCCC1)NC(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C18H24ClNO3/c1-23-18(22)16(19)15(12-13-8-4-2-5-9-13)20-17(21)14-10-6-3-7-11-14/h3,6-7,10-11,13,15-16H,2,4-5,8-9,12H2,1H3,(H,20,21)/t15-,16-/m0/s1