[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H18FNO4 MolecularWeight: 331.338223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)N[C@@H](C)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO4/c1-11-4-3-5-15(17(11)22)18(23)24-10-16(21)20-12(2)13-6-8-14(19)9-7-13/h3-9,12,22H,10H2,1-2H3,(H,20,21)/t12-/m0/s1