[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-keto-ethyl] ester Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC(CC)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)N[C@H](CC)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H22BrNO3/c1-3-14-5-7-16(8-6-14)20(24)25-13-19(23)22-18(4-2)15-9-11-17(21)12-10-15/h5-12,18H,3-4,13H2,1-2H3,(H,22,23)/t18-/m1/s1