(E)-3-[2-bromanyl-5-ethoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-bromanyl-5-ethoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[2-(benzylamino)-2-oxo-ethoxy]-2-bromo-5-ethoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[2-bromo-5-ethoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[2-(benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[2-(benzylamino)-2-keto-ethoxy]-2-bromo-5-ethoxy-phenyl]acrylate Formula: C20H19BrNO5- MolecularWeight: 433.27256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO5/c1-2-26-17-10-15(8-9-20(24)25)16(21)11-18(17)27-13-19(23)22-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,22,23)(H,24,25)/p-1/b9-8+