[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=CC=C2Br)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=CC=CC=C2Br)O

InChI

InChI=1S/C18H18BrNO4/c1-11-7-8-14(16(21)9-11)18(23)24-10-17(22)20-12(2)13-5-3-4-6-15(13)19/h3-9,12,21H,10H2,1-2H3,(H,20,22)/t12-/m1/s1