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

Systemtic Name: 3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(4-azanyl-3-chloranyl-phenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-amino-3-chloro-phenyl)-1-(4-carbamoyl-2-methyl-phenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-amino-3-chlorophenyl)-1-(4-carbamoyl-2-methylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-amino-3-chlorophenyl)-1-(4-carbamoyl-2-methylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-amino-3-chloro-phenyl)-1-(4-carbamoyl-2-methyl-phenyl)pyrrol-2-yl]propionic acid Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3/c1-12-10-14(21(24)28)3-7-18(12)25-15(5-9-20(26)27)4-8-19(25)13-2-6-17(23)16(22)11-13/h2-4,6-8,10-11H,5,9,23H2,1H3,(H2,24,28)(H,26,27)