[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C(=CC=C2)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO5/c1-11-6-4-8-14(12(11)2)19-16(20)10-24-18(22)13-7-5-9-15(23-3)17(13)21/h5,7,9,11-12,14,21H,4,6,8,10H2,1-3H3,(H,19,20)/t11-,12-,14-/m0/s1