3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(4-bromanyl-2-methoxy-phenyl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(4-bromanyl-2-methoxy-phenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromo-2-methoxy-phenyl)-1-(4-carbamoyl-2-methyl-phenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromo-2-methoxyphenyl)-1-(4-carbamoyl-2-methylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromo-2-methoxyphenyl)-1-(4-carbamoyl-2-methylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromo-2-methoxy-phenyl)-1-(4-carbamoyl-2-methyl-phenyl)pyrrol-2-yl]propionic acid Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=C(C=C(C=C3)Br)OC)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=C(C=C(C=C3)Br)OC)CCC(=O)O

InChI

InChI=1S/C22H21BrN2O4/c1-13-11-14(22(24)28)3-8-18(13)25-16(6-10-21(26)27)5-9-19(25)17-7-4-15(23)12-20(17)29-2/h3-5,7-9,11-12H,6,10H2,1-2H3,(H2,24,28)(H,26,27)