3-[5-(4-methoxyphenyl)-1-[(4-methylphenyl)carbonylamino]pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-methoxyphenyl)-1-[(4-methylphenyl)carbonylamino]pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-methoxyphenyl)-1-[(4-methylbenzoyl)amino]pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-methoxyphenyl)-1-[[(4-methylphenyl)-oxomethyl]amino]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-methoxyphenyl)-1-[(4-methylbenzoyl)amino]pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-methoxyphenyl)-1-(p-toluoylamino)pyrrol-2-yl]propionic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)OC)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)OC)CCC(=O)O

InChI

InChI=1S/C22H22N2O4/c1-15-3-5-17(6-4-15)22(27)23-24-18(10-14-21(25)26)9-13-20(24)16-7-11-19(28-2)12-8-16/h3-9,11-13H,10,14H2,1-2H3,(H,23,27)(H,25,26)