calcium 5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: calcium 5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: calcium 5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: calcium 5-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylate IUPAC Name: calcium 5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: calcium 5-p-toluoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Formula: C32H28CaN2O6 MolecularWeight: 576.65252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)[O-].CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)[O-].CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C16H15NO3.Ca/c2*1-10-2-4-11(5-3-10)15(18)14-7-6-13-12(16(19)20)8-9-17(13)14;/h2*2-7,12H,8-9H2,1H3,(H,19,20);/q;;+2/p-2