methyl 6-butyl-5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 6-butyl-5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 6-butyl-5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-butyl-5-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 6-butyl-5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-butyl-5-p-toluoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2CCC(C2=C1)C(=O)OC)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=C(N2CCC(C2=C1)C(=O)OC)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO3/c1-4-5-6-16-13-18-17(21(24)25-3)11-12-22(18)19(16)20(23)15-9-7-14(2)8-10-15/h7-10,13,17H,4-6,11-12H2,1-3H3