2-[(4-chloranyl-3-propan-2-yloxycarbonyl-phenyl)carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(4-chloranyl-3-propan-2-yloxycarbonyl-phenyl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(4-chloro-3-isopropoxycarbonyl-phenyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[4-chloro-3-[oxo(propan-2-yloxy)methyl]anilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-3-propan-2-yloxycarbonylphenyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(4-chloro-3-isopropoxycarbonyl-phenyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C18H20ClNO5 MolecularWeight: 365.8081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(CCCC2)C(=O)O)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(CCCC2)C(=O)O)Cl

InChI

InChI=1S/C18H20ClNO5/c1-10(2)25-18(24)14-9-11(7-8-15(14)19)20-16(21)12-5-3-4-6-13(12)17(22)23/h7-10H,3-6H2,1-2H3,(H,20,21)(H,22,23)