[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-[[(1S)-1-(p-tolyl)propyl]amino]ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-[[(1S)-1-(p-tolyl)propyl]amino]ethyl] ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C19H20BrNO4/c1-3-16(13-6-4-12(2)5-7-13)21-18(23)11-25-19(24)15-10-14(20)8-9-17(15)22/h4-10,16,22H,3,11H2,1-2H3,(H,21,23)/t16-/m0/s1