3-methylbutyl 3-(4-methylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: 3-methylbutyl 3-(4-methylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: isopentyl 3-(4-methylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 3-[(4-methylphenyl)-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-(4-methylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 3-p-toluoyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid isoamyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCC3C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCC3C(=O)OCCC(C)C

InChI

InChI=1S/C22H27NO3/c1-15(2)12-14-26-22(25)18-5-4-13-23-19(18)10-11-20(23)21(24)17-8-6-16(3)7-9-17/h6-11,15,18H,4-5,12-14H2,1-3H3