[(1R,6S)-6-[[(2S)-2-acetyloxypropanoyl]amino]-6-methoxycarbonyl-cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1R,6S)-6-[[(2S)-2-acetyloxypropanoyl]amino]-6-methoxycarbonyl-cyclohex-2-en-1-yl] benzoate Openeye Name: [(1R,6S)-6-[[(2S)-2-acetoxypropanoyl]amino]-6-methoxycarbonyl-cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1R,6S)-6-[[(2S)-2-acetyloxy-1-oxopropyl]amino]-6-methoxycarbonyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,6S)-6-[[(2S)-2-acetyloxypropanoyl]amino]-6-methoxycarbonylcyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,6S)-6-[[(2S)-2-acetoxypropanoyl]amino]-6-carbomethoxy-cyclohex-2-en-1-yl] ester Formula: C20H23NO7 MolecularWeight: 389.39912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCC=CC1OC(=O)C2=CC=CC=C2)C(=O)OC)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO7/c1-13(27-14(2)22)17(23)21-20(19(25)26-3)12-8-7-11-16(20)28-18(24)15-9-5-4-6-10-15/h4-7,9-11,13,16H,8,12H2,1-3H3,(H,21,23)/t13-,16+,20-/m0/s1