ethyl 1,3,5-trimethyl-4-(3-phenylpropylcarbamoyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 1,3,5-trimethyl-4-(3-phenylpropylcarbamoyl)pyrrole-2-carboxylate Openeye Name: ethyl 1,3,5-trimethyl-4-(3-phenylpropylcarbamoyl)pyrrole-2-carboxylate CAS Name: 1,3,5-trimethyl-4-[oxo-(3-phenylpropylamino)methyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3,5-trimethyl-4-(3-phenylpropylcarbamoyl)pyrrole-2-carboxylate Traditional Name: 1,3,5-trimethyl-4-(3-phenylpropylcarbamoyl)pyrrole-2-carboxylic acid ethyl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCCCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCCCC2=CC=CC=C2)C

InChI

InChI=1S/C20H26N2O3/c1-5-25-20(24)18-14(2)17(15(3)22(18)4)19(23)21-13-9-12-16-10-7-6-8-11-16/h6-8,10-11H,5,9,12-13H2,1-4H3,(H,21,23)