[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H24BrNO5 MolecularWeight: 462.33366

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)OC

InChI

InChI=1S/C22H24BrNO5/c1-3-11-28-20-17(23)12-15(13-18(20)27-2)22(26)29-19(14-7-5-4-6-8-14)21(25)24-16-9-10-16/h4-8,12-13,16,19H,3,9-11H2,1-2H3,(H,24,25)