(2-azanyl-2-oxidanylidene-ethyl) 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-benzyloxy-3-bromo-5-methoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-phenylmethoxybenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-bromo-5-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-bromo-5-methoxy-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C17H16BrNO5 MolecularWeight: 394.21664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N)Br)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16BrNO5/c1-22-14-8-12(17(21)24-10-15(19)20)7-13(18)16(14)23-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H2,19,20)