(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C19H20BrNO5 MolecularWeight: 422.2698

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO5/c1-3-9-25-17-14(20)10-13(11-15(17)24-2)19(23)26-16(18(21)22)12-7-5-4-6-8-12/h4-8,10-11,16H,3,9H2,1-2H3,(H2,21,22)