ethyl 3,5-dimethyl-4-[2-(3-methylbutylamino)propanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-(3-methylbutylamino)propanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(isopentylamino)propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-(3-methylbutylamino)-1-oxopropyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-(3-methylbutylamino)propanoyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(isoamylamino)propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C17H28N2O3 MolecularWeight: 308.41582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C(C)NCCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C(C)NCCC(C)C)C

InChI

InChI=1S/C17H28N2O3/c1-7-22-17(21)15-11(4)14(12(5)19-15)16(20)13(6)18-9-8-10(2)3/h10,13,18-19H,7-9H2,1-6H3