(1R,6S)-6-[(3-fluorophenyl)methyl-methyl-carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(3-fluorophenyl)methyl-methyl-carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(3-fluorophenyl)methyl-methyl-carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[(3-fluorophenyl)methyl-methylamino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(3-fluorophenyl)methyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(3-fluorobenzyl)-methyl-carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H17FNO3- MolecularWeight: 290.309483

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H18FNO3/c1-18(10-11-5-4-6-12(17)9-11)15(19)13-7-2-3-8-14(13)16(20)21/h2-6,9,13-14H,7-8,10H2,1H3,(H,20,21)/p-1/t13-,14+/m0/s1