hexyl 2-butyl-3-(3-chlorophenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: hexyl 2-butyl-3-(3-chlorophenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: hexyl 2-butyl-3-(3-chlorobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 2-butyl-3-[(3-chlorophenyl)-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid hexyl ester IUPAC Name: hexyl 2-butyl-3-(3-chlorobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 2-butyl-3-(3-chlorobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid hexyl ester Formula: C26H34ClNO3 MolecularWeight: 444.00606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1CCCN2C1=CC(=C2C(=O)C3=CC(=CC=C3)Cl)CCCC

Isomeric SMILES

CCCCCCOC(=O)C1CCCN2C1=CC(=C2C(=O)C3=CC(=CC=C3)Cl)CCCC

InChI

InChI=1S/C26H34ClNO3/c1-3-5-7-8-16-31-26(30)22-14-10-15-28-23(22)18-19(11-6-4-2)24(28)25(29)20-12-9-13-21(27)17-20/h9,12-13,17-18,22H,3-8,10-11,14-16H2,1-2H3