[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 4-benzyloxy-3-bromo-5-methoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-phenylmethoxybenzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-bromo-5-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-bromo-5-methoxy-benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2CC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2CC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO5/c1-25-17-10-14(20(24)27-12-18(23)22-15-7-8-15)9-16(21)19(17)26-11-13-5-3-2-4-6-13/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,22,23)