3-methylbutyl 5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: 3-methylbutyl 5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: isopentyl 5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-p-toluoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid isoamyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)OCCC(C)C

InChI

InChI=1S/C21H25NO3/c1-14(2)11-13-25-21(24)17-10-12-22-18(17)8-9-19(22)20(23)16-6-4-15(3)5-7-16/h4-9,14,17H,10-13H2,1-3H3