ethyl 1,3,5-trimethyl-4-[2-[3-methylbutanoyl(prop-2-enyl)amino]propanoyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 1,3,5-trimethyl-4-[2-[3-methylbutanoyl(prop-2-enyl)amino]propanoyl]pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[allyl(3-methylbutanoyl)amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate CAS Name: 1,3,5-trimethyl-4-[2-[(3-methyl-1-oxobutyl)-prop-2-enylamino]-1-oxopropyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3,5-trimethyl-4-[2-[3-methylbutanoyl(prop-2-enyl)amino]propanoyl]pyrrole-2-carboxylate Traditional Name: 4-[2-[allyl(isovaleryl)amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)C(C)N(CC=C)C(=O)CC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)C(C)N(CC=C)C(=O)CC(C)C)C

InChI

InChI=1S/C21H32N2O4/c1-9-11-23(17(24)12-13(3)4)16(7)20(25)18-14(5)19(21(26)27-10-2)22(8)15(18)6/h9,13,16H,1,10-12H2,2-8H3