6-butyl-7-chloranyl-5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 6-butyl-7-chloranyl-5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 6-butyl-7-chloro-5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 6-butyl-7-chloro-5-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 6-butyl-7-chloro-5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 6-butyl-7-chloro-5-p-toluoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3/c1-3-4-5-14-16(21)17-15(20(24)25)10-11-22(17)18(14)19(23)13-8-6-12(2)7-9-13/h6-9,15H,3-5,10-11H2,1-2H3,(H,24,25)