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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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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)N(C)C)OC

Isomeric SMILES

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

InChI

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