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

Systemtic Name: calcium 3-(4-methylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: calcium 3-(4-methylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: calcium 3-[(4-methylphenyl)-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylate IUPAC Name: calcium 3-(4-methylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: calcium 3-p-toluoyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Formula: C34H32CaN2O6 MolecularWeight: 604.70568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCC3C(=O)[O-].CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCC3C(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCC3C(=O)[O-].CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCC3C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C17H17NO3.Ca/c2*1-11-4-6-12(7-5-11)16(19)15-9-8-14-13(17(20)21)3-2-10-18(14)15;/h2*4-9,13H,2-3,10H2,1H3,(H,20,21);/q;;+2/p-2