3-[5-(4-bromophenyl)-1-[(3,4-dimethoxyphenyl)carbonylamino]pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-bromophenyl)-1-[(3,4-dimethoxyphenyl)carbonylamino]pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-[(3,4-dimethoxybenzoyl)amino]pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-[(3,4-dimethoxybenzoyl)amino]pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-(veratroylamino)pyrrol-2-yl]propionic acid Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O)OC

InChI

InChI=1S/C22H21BrN2O5/c1-29-19-11-5-15(13-20(19)30-2)22(28)24-25-17(9-12-21(26)27)8-10-18(25)14-3-6-16(23)7-4-14/h3-8,10-11,13H,9,12H2,1-2H3,(H,24,28)(H,26,27)