2-bromanyl-5-ethoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]benzoate

Systemtic Name: 2-bromanyl-5-ethoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]benzoate Openeye Name: 4-[2-(benzylamino)-2-oxo-ethoxy]-2-bromo-5-ethoxy-benzoate CAS Name: 2-bromo-5-ethoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]benzoate IUPAC Name: 4-[2-(benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoate Traditional Name: 4-[2-(benzylamino)-2-keto-ethoxy]-2-bromo-5-ethoxy-benzoate Formula: C18H17BrNO5- MolecularWeight: 407.23528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)[O-])Br)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)[O-])Br)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H18BrNO5/c1-2-24-15-8-13(18(22)23)14(19)9-16(15)25-11-17(21)20-10-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,20,21)(H,22,23)/p-1