[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C19H20BrNO3 MolecularWeight: 390.271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](C)NC(=O)COC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C19H20BrNO3/c1-12-4-5-16(10-13(12)2)14(3)21-18(22)11-24-19(23)15-6-8-17(20)9-7-15/h4-10,14H,11H2,1-3H3,(H,21,22)/t14-/m1/s1