3-[[(1S,6S)-6-[(2S)-butan-2-yl]oxycarbonylcyclohex-3-en-1-yl]carbonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[(1S,6S)-6-[(2S)-butan-2-yl]oxycarbonylcyclohex-3-en-1-yl]carbonylamino]-4-methyl-benzoic acid Openeye Name: 4-methyl-3-[[(1S,6S)-6-[(1S)-1-methylpropoxy]carbonylcyclohex-3-ene-1-carbonyl]amino]benzoic acid CAS Name: 3-[[[(1S,6S)-6-[[(2S)-butan-2-yl]oxy-oxomethyl]-1-cyclohex-3-enyl]-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[(1S,6S)-6-[(2S)-butan-2-yl]oxycarbonylcyclohex-3-ene-1-carbonyl]amino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[[(1S,6S)-6-[(1S)-1-methylpropoxy]carbonylcyclohex-3-ene-1-carbonyl]amino]benzoic acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1CC=CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C20H25NO5/c1-4-13(3)26-20(25)16-8-6-5-7-15(16)18(22)21-17-11-14(19(23)24)10-9-12(17)2/h5-6,9-11,13,15-16H,4,7-8H2,1-3H3,(H,21,22)(H,23,24)/t13-,15-,16-/m0/s1