ethyl 3,5-dimethyl-1-(phenylmethyl)-4-(prop-2-enylcarbamoyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-(phenylmethyl)-4-(prop-2-enylcarbamoyl)pyrrole-2-carboxylate Openeye Name: ethyl 4-(allylcarbamoyl)-1-benzyl-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-(prop-2-enylamino)methyl]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3,5-dimethyl-4-(prop-2-enylcarbamoyl)pyrrole-2-carboxylate Traditional Name: 4-(allylcarbamoyl)-1-benzyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCC=C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCC=C)C

InChI

InChI=1S/C20H24N2O3/c1-5-12-21-19(23)17-14(3)18(20(24)25-6-2)22(15(17)4)13-16-10-8-7-9-11-16/h5,7-11H,1,6,12-13H2,2-4H3,(H,21,23)