5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylic acid Openeye Name: 5-tert-butyl-3-(p-tolylcarbamoylamino)-1H-pyrrole-2-carboxylic acid CAS Name: 5-tert-butyl-3-[[(4-methylanilino)-oxomethyl]amino]-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylic acid Traditional Name: 5-tert-butyl-3-(p-tolylcarbamoylamino)-1H-pyrrole-2-carboxylic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=C(NC(=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=C(NC(=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C17H21N3O3/c1-10-5-7-11(8-6-10)18-16(23)19-12-9-13(17(2,3)4)20-14(12)15(21)22/h5-9,20H,1-4H3,(H,21,22)(H2,18,19,23)