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

Systemtic Name: 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylic acid Openeye Name: 5-tert-butyl-1-methyl-3-(p-tolylcarbamoylamino)pyrrole-2-carboxylic acid CAS Name: 5-tert-butyl-1-methyl-3-[[(4-methylanilino)-oxomethyl]amino]-2-pyrrolecarboxylic acid IUPAC Name: 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylic acid Traditional Name: 5-tert-butyl-1-methyl-3-(p-tolylcarbamoylamino)pyrrole-2-carboxylic acid Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-11-6-8-12(9-7-11)19-17(24)20-13-10-14(18(2,3)4)21(5)15(13)16(22)23/h6-10H,1-5H3,(H,22,23)(H2,19,20,24)