hexyl 6-butyl-5-(3-chlorophenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: hexyl 6-butyl-5-(3-chlorophenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: hexyl 6-butyl-5-(3-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-butyl-5-[(3-chlorophenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid hexyl ester IUPAC Name: hexyl 6-butyl-5-(3-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-butyl-5-(3-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid hexyl ester Formula: C25H32ClNO3 MolecularWeight: 429.97948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC(=CC=C3)Cl)CCCC

Isomeric SMILES

CCCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC(=CC=C3)Cl)CCCC

InChI

InChI=1S/C25H32ClNO3/c1-3-5-7-8-15-30-25(29)21-13-14-27-22(21)17-18(10-6-4-2)23(27)24(28)19-11-9-12-20(26)16-19/h9,11-12,16-17,21H,3-8,10,13-15H2,1-2H3