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

Systemtic Name: 3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(4-piperazin-1-ylphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(4-carbamoyl-2-methyl-phenyl)-5-(4-piperazin-1-ylphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(4-carbamoyl-2-methylphenyl)-5-[4-(1-piperazinyl)phenyl]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(4-carbamoyl-2-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(4-carbamoyl-2-methyl-phenyl)-5-(4-piperazinophenyl)pyrrol-2-yl]propionic acid Formula: C25H28N4O3 MolecularWeight: 432.51482

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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)N4CCNCC4)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC=C(C=C3)N4CCNCC4)CCC(=O)O

InChI

InChI=1S/C25H28N4O3/c1-17-16-19(25(26)32)4-9-22(17)29-21(8-11-24(30)31)7-10-23(29)18-2-5-20(6-3-18)28-14-12-27-13-15-28/h2-7,9-10,16,27H,8,11-15H2,1H3,(H2,26,32)(H,30,31)