[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br)OCC

InChI

InChI=1S/C21H24BrNO5/c1-4-26-18-11-8-16(12-19(18)27-5-2)21(25)28-13-20(24)23-14(3)15-6-9-17(22)10-7-15/h6-12,14H,4-5,13H2,1-3H3,(H,23,24)