O2-[1-(4-bromophenyl)-2-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethylamino]-2-oxidanylidene-ethyl] O1-methyl ethanedioate

Systemtic Name: O2-[1-(4-bromophenyl)-2-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethylamino]-2-oxidanylidene-ethyl] O1-methyl ethanedioate Openeye Name: O2-[1-(4-bromophenyl)-2-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethylamino]-2-oxo-ethyl] O1-methyl oxalate CAS Name: oxalic acid O2-[1-(4-bromophenyl)-2-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 2-O-[1-(4-bromophenyl)-2-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethylamino]-2-oxoethyl] 1-O-methyl oxalate Traditional Name: oxalic acid O2-[1-(4-bromophenyl)-2-keto-2-[2-(3-methoxy-4-propargyloxy-phenyl)ethylamino]ethyl] ester O1-methyl ester Formula: C23H22BrNO7 MolecularWeight: 504.32728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC(=O)C(C2=CC=C(C=C2)Br)OC(=O)C(=O)OC)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC(=O)C(C2=CC=C(C=C2)Br)OC(=O)C(=O)OC)OCC#C

InChI

InChI=1S/C23H22BrNO7/c1-4-13-31-18-10-5-15(14-19(18)29-2)11-12-25-21(26)20(32-23(28)22(27)30-3)16-6-8-17(24)9-7-16/h1,5-10,14,20H,11-13H2,2-3H3,(H,25,26)