4-[[(1S,6R)-6-propan-2-yloxycarbonylcyclohex-3-en-1-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[(1S,6R)-6-propan-2-yloxycarbonylcyclohex-3-en-1-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(1S,6R)-6-isopropoxycarbonylcyclohex-3-ene-1-carbonyl]amino]benzoic acid CAS Name: 4-[[oxo-[(1S,6R)-6-[oxo(propan-2-yloxy)methyl]-1-cyclohex-3-enyl]methyl]amino]benzoic acid IUPAC Name: 4-[[(1S,6R)-6-propan-2-yloxycarbonylcyclohex-3-ene-1-carbonyl]amino]benzoic acid Traditional Name: 4-[[(1S,6R)-6-isopropoxycarbonylcyclohex-3-ene-1-carbonyl]amino]benzoic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5/c1-11(2)24-18(23)15-6-4-3-5-14(15)16(20)19-13-9-7-12(8-10-13)17(21)22/h3-4,7-11,14-15H,5-6H2,1-2H3,(H,19,20)(H,21,22)/t14-,15+/m0/s1