[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(ethoxycarbonylamino)benzoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(ethoxycarbonylamino)benzoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 4-(ethoxycarbonylamino)benzoate CAS Name: 4-(ethoxycarbonylamino)benzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 4-(ethoxycarbonylamino)benzoate Traditional Name: 4-(carbethoxyamino)benzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H21BrN2O5/c1-3-27-20(26)23-17-10-6-15(7-11-17)19(25)28-12-18(24)22-13(2)14-4-8-16(21)9-5-14/h4-11,13H,3,12H2,1-2H3,(H,22,24)(H,23,26)