ethyl 1,3,5-trimethyl-4-[2-[3-methylbutyl(propan-2-ylcarbamoyl)amino]ethanoyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 1,3,5-trimethyl-4-[2-[3-methylbutyl(propan-2-ylcarbamoyl)amino]ethanoyl]pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[isopentyl(isopropylcarbamoyl)amino]acetyl]-1,3,5-trimethyl-pyrrole-2-carboxylate CAS Name: 1,3,5-trimethyl-4-[2-[3-methylbutyl-[oxo-(propan-2-ylamino)methyl]amino]-1-oxoethyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3,5-trimethyl-4-[2-[3-methylbutyl(propan-2-ylcarbamoyl)amino]acetyl]pyrrole-2-carboxylate Traditional Name: 4-[2-[isoamyl(isopropylcarbamoyl)amino]acetyl]-1,3,5-trimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C21H35N3O4 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)CN(CCC(C)C)C(=O)NC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)CN(CCC(C)C)C(=O)NC(C)C)C

InChI

InChI=1S/C21H35N3O4/c1-9-28-20(26)19-15(6)18(16(7)23(19)8)17(25)12-24(11-10-13(2)3)21(27)22-14(4)5/h13-14H,9-12H2,1-8H3,(H,22,27)