methyl 7-bromanyl-6-butyl-5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 7-bromanyl-6-butyl-5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 7-bromo-6-butyl-5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 7-bromo-6-butyl-5-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-6-butyl-5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 7-bromo-6-butyl-5-p-toluoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2CCC(C2=C1Br)C(=O)OC)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=C(N2CCC(C2=C1Br)C(=O)OC)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24BrNO3/c1-4-5-6-15-17(22)18-16(21(25)26-3)11-12-23(18)19(15)20(24)14-9-7-13(2)8-10-14/h7-10,16H,4-6,11-12H2,1-3H3