6-[(4-fluorophenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(4-fluorophenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(4-fluorophenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(4-fluorophenyl)methylamino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(4-fluorophenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(4-fluorobenzyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C17H20FNO3 MolecularWeight: 305.344003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCC2=CC=C(C=C2)F)C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)NCC2=CC=C(C=C2)F)C(=O)O)C

InChI

InChI=1S/C17H20FNO3/c1-10-7-14(15(17(21)22)8-11(10)2)16(20)19-9-12-3-5-13(18)6-4-12/h3-6,14-15H,7-9H2,1-2H3,(H,19,20)(H,21,22)