3-methylbutyl 3-(4-ethoxyphenyl)carbonyl-2-ethyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: 3-methylbutyl 3-(4-ethoxyphenyl)carbonyl-2-ethyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: isopentyl 3-(4-ethoxybenzoyl)-2-ethyl-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 3-[(4-ethoxyphenyl)-oxomethyl]-2-ethyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-(4-ethoxybenzoyl)-2-ethyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 3-(4-ethoxybenzoyl)-2-ethyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid isoamyl ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2CCCC(C2=C1)C(=O)OCCC(C)C)C(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=C(N2CCCC(C2=C1)C(=O)OCCC(C)C)C(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C25H33NO4/c1-5-18-16-22-21(25(28)30-15-13-17(3)4)8-7-14-26(22)23(18)24(27)19-9-11-20(12-10-19)29-6-2/h9-12,16-17,21H,5-8,13-15H2,1-4H3