methyl 6-butyl-7-chloranyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 6-butyl-7-chloranyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 5-benzoyl-6-butyl-7-chloro-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-benzoyl-6-butyl-7-chloro-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-benzoyl-6-butyl-7-chloro-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-benzoyl-6-butyl-7-chloro-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2CCC(C2=C1Cl)C(=O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(N2CCC(C2=C1Cl)C(=O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22ClNO3/c1-3-4-10-14-16(21)17-15(20(24)25-2)11-12-22(17)18(14)19(23)13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3