2-[(4-tert-butyl-3-cyano-1-methyl-pyrrol-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(4-tert-butyl-3-cyano-1-methyl-pyrrol-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(4-tert-butyl-3-cyano-1-methyl-pyrrol-2-yl)carbamoyl]benzoic acid CAS Name: 2-[[(4-tert-butyl-3-cyano-1-methyl-2-pyrrolyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(4-tert-butyl-3-cyano-1-methylpyrrol-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(4-tert-butyl-3-cyano-1-methyl-pyrrol-2-yl)carbamoyl]benzoic acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN(C(=C1C#N)NC(=O)C2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC(C)(C)C1=CN(C(=C1C#N)NC(=O)C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C18H19N3O3/c1-18(2,3)14-10-21(4)15(13(14)9-19)20-16(22)11-7-5-6-8-12(11)17(23)24/h5-8,10H,1-4H3,(H,20,22)(H,23,24)