3-[2-(4-aminocarbonyl-2-methyl-phenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[2-(4-aminocarbonyl-2-methyl-phenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid Openeye Name: 3-[2-(4-carbamoyl-2-methyl-phenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid CAS Name: 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)-1-pyrrolyl]propanoic acid IUPAC Name: 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid Traditional Name: 3-[2-(4-carbamoyl-2-methyl-phenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propionic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)C2=C(C=CN2CCC(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)C2=C(C=CN2CCC(=O)O)C3=CC=C(C=C3)OC

InChI

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