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

Systemtic Name: 3-[1-[(4-tert-butylphenyl)carbonylamino]-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-tert-butylbenzoyl)amino]-5-(p-tolyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[[(4-tert-butylphenyl)-oxomethyl]amino]-5-(4-methylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[(4-tert-butylbenzoyl)amino]-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[(4-tert-butylbenzoyl)amino]-5-(p-tolyl)pyrrol-2-yl]propionic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=C(C=C3)C(C)(C)C)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=C(C=C3)C(C)(C)C)CCC(=O)O

InChI

InChI=1S/C25H28N2O3/c1-17-5-7-18(8-6-17)22-15-13-21(14-16-23(28)29)27(22)26-24(30)19-9-11-20(12-10-19)25(2,3)4/h5-13,15H,14,16H2,1-4H3,(H,26,30)(H,28,29)