2-(2-bromanyl-4,5-dimethoxy-phenyl)-2-[2-chloranylethanoyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethanoic acid

Systemtic Name: 2-(2-bromanyl-4,5-dimethoxy-phenyl)-2-[2-chloranylethanoyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethanoic acid Openeye Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-2-[(2-chloroacetyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]acetic acid CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-2-[(2-chloro-1-oxoethyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]acetic acid IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)-2-[(2-chloroacetyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]acetic acid Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-2-[(2-chloroacetyl)-homoveratryl-amino]acetic acid Formula: C22H25BrClNO7 MolecularWeight: 530.7934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(C(C2=CC(=C(C=C2Br)OC)OC)C(=O)O)C(=O)CCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(C(C2=CC(=C(C=C2Br)OC)OC)C(=O)O)C(=O)CCl)OC

InChI

InChI=1S/C22H25BrClNO7/c1-29-16-6-5-13(9-17(16)30-2)7-8-25(20(26)12-24)21(22(27)28)14-10-18(31-3)19(32-4)11-15(14)23/h5-6,9-11,21H,7-8,12H2,1-4H3,(H,27,28)