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

Systemtic Name: propan-2-yl 6-butyl-5-(3-chlorophenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO3/c1-4-5-7-15-13-19-18(22(26)27-14(2)3)10-11-24(19)20(15)21(25)16-8-6-9-17(23)12-16/h6,8-9,12-14,18H,4-5,7,10-11H2,1-3H3