methyl 3-(3-butylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: methyl 3-(3-butylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: methyl 3-(3-butylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 3-[(3-butylphenyl)-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-butylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 3-(3-butylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C(=O)C2=CC=C3N2CCCC3C(=O)OC

Isomeric SMILES

CCCCC1=CC=CC(=C1)C(=O)C2=CC=C3N2CCCC3C(=O)OC

InChI

InChI=1S/C21H25NO3/c1-3-4-7-15-8-5-9-16(14-15)20(23)19-12-11-18-17(21(24)25-2)10-6-13-22(18)19/h5,8-9,11-12,14,17H,3-4,6-7,10,13H2,1-2H3