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

Systemtic Name: 3-[1-[(4-tert-butylphenyl)carbonylamino]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-tert-butylbenzoyl)amino]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[[(4-tert-butylphenyl)-oxomethyl]amino]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[(4-tert-butylbenzoyl)amino]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[(4-tert-butylbenzoyl)amino]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=CS3)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=CS3)CCC(=O)O

InChI

InChI=1S/C22H24N2O3S/c1-22(2,3)16-8-6-15(7-9-16)21(27)23-24-17(11-13-20(25)26)10-12-18(24)19-5-4-14-28-19/h4-10,12,14H,11,13H2,1-3H3,(H,23,27)(H,25,26)