methyl 2-ethyl-4-methyl-5-[(4-methylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[(4-methylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-(p-tolylmethylcarbamoyl)-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[[(4-methylphenyl)methylamino]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[(4-methylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[(4-methylbenzyl)carbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NCC2=CC=C(C=C2)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NCC2=CC=C(C=C2)C)C)C(=O)OC

InChI

InChI=1S/C18H22N2O3/c1-5-14-15(18(22)23-4)12(3)16(20-14)17(21)19-10-13-8-6-11(2)7-9-13/h6-9,20H,5,10H2,1-4H3,(H,19,21)