ethyl 3-(3-chloranylpropylcarbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-(3-chloranylpropylcarbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-(3-chloropropylcarbamoylamino)-5-(p-tolyl)-1H-pyrrole-2-carboxylate CAS Name: 3-[[(3-chloropropylamino)-oxomethyl]amino]-5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-chloropropylcarbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-(3-chloropropylcarbamoylamino)-5-(p-tolyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(N1)C2=CC=C(C=C2)C)NC(=O)NCCCCl

Isomeric SMILES

CCOC(=O)C1=C(C=C(N1)C2=CC=C(C=C2)C)NC(=O)NCCCCl

InChI

InChI=1S/C18H22ClN3O3/c1-3-25-17(23)16-15(22-18(24)20-10-4-9-19)11-14(21-16)13-7-5-12(2)6-8-13/h5-8,11,21H,3-4,9-10H2,1-2H3,(H2,20,22,24)