methyl 5-tert-butyl-3-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-tert-butyl-3-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-tert-butyl-3-[(3-chloro-4-methyl-phenyl)carbamoylamino]-1H-pyrrole-2-carboxylate CAS Name: 5-tert-butyl-3-[[(3-chloro-4-methylanilino)-oxomethyl]amino]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-3-[(3-chloro-4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate Traditional Name: 5-tert-butyl-3-[(3-chloro-4-methyl-phenyl)carbamoylamino]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=C(NC(=C2)C(C)(C)C)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=C(NC(=C2)C(C)(C)C)C(=O)OC)Cl

InChI

InChI=1S/C18H22ClN3O3/c1-10-6-7-11(8-12(10)19)20-17(24)21-13-9-14(18(2,3)4)22-15(13)16(23)25-5/h6-9,22H,1-5H3,(H2,20,21,24)