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

Systemtic Name: 3-[1-[(3,4-dimethoxyphenyl)carbonylamino]-5-phenyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[(3,4-dimethoxybenzoyl)amino]-5-phenyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-5-phenyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[(3,4-dimethoxybenzoyl)amino]-5-phenylpyrrol-2-yl]propanoic acid Traditional Name: 3-[5-phenyl-1-(veratroylamino)pyrrol-2-yl]propionic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-28-19-12-8-16(14-20(19)29-2)22(27)23-24-17(10-13-21(25)26)9-11-18(24)15-6-4-3-5-7-15/h3-9,11-12,14H,10,13H2,1-2H3,(H,23,27)(H,25,26)