[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-methoxy-4-methyl-benzoate

Systemtic Name: [2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-methoxy-4-methyl-benzoate Openeye Name: [2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic acid [2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4/c1-12-8-9-14(10-17(12)24-3)19(23)25-11-18(22)21-13(2)15-6-4-5-7-16(15)20/h4-10,13H,11H2,1-3H3,(H,21,22)/t13-/m0/s1