6-butyl-5-(3-chlorophenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 6-butyl-5-(3-chlorophenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 6-butyl-5-(3-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 6-butyl-5-[(3-chlorophenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 6-butyl-5-(3-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 6-butyl-5-(3-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C19H20ClNO3 MolecularWeight: 345.82

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO3/c1-2-3-5-12-11-16-15(19(23)24)8-9-21(16)17(12)18(22)13-6-4-7-14(20)10-13/h4,6-7,10-11,15H,2-3,5,8-9H2,1H3,(H,23,24)