sodium 3-(2-methylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: sodium 3-(2-methylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: sodium 3-(2-methylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: sodium 3-[(2-methylphenyl)-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylate IUPAC Name: sodium 3-(2-methylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: sodium 3-o-toluoyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Formula: C17H16NNaO3 MolecularWeight: 305.30361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CC=C3N2CCCC3C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CC=C3N2CCCC3C(=O)[O-].[Na+]

InChI

InChI=1S/C17H17NO3.Na/c1-11-5-2-3-6-12(11)16(19)15-9-8-14-13(17(20)21)7-4-10-18(14)15;/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H,20,21);/q;+1/p-1