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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)Br)OC

InChI

InChI=1S/C18H18BrNO5/c1-3-24-14-10-12(9-13(19)16(14)23-2)18(22)25-15(17(20)21)11-7-5-4-6-8-11/h4-10,15H,3H2,1-2H3,(H2,20,21)