(phenylmethyl) 4-[prop-2-enyl(prop-2-enylcarbamoyl)amino]-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-[prop-2-enyl(prop-2-enylcarbamoyl)amino]-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-[allyl(allylcarbamoyl)amino]-1H-pyrrole-2-carboxylate CAS Name: 4-[[oxo-(prop-2-enylamino)methyl]-prop-2-enylamino]-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[prop-2-enyl(prop-2-enylcarbamoyl)amino]-1H-pyrrole-2-carboxylate Traditional Name: 4-[allyl(allylcarbamoyl)amino]-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N(CC=C)C1=CNC(=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C=CCNC(=O)N(CC=C)C1=CNC(=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O3/c1-3-10-20-19(24)22(11-4-2)16-12-17(21-13-16)18(23)25-14-15-8-6-5-7-9-15/h3-9,12-13,21H,1-2,10-11,14H2,(H,20,24)