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

Systemtic Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl] 4-ethoxybenzoate Openeye Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-keto-ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4/c1-3-18(14-5-9-16(21)10-6-14)22-19(23)13-26-20(24)15-7-11-17(12-8-15)25-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,22,23)/t18-/m1/s1