calcium 3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoate

Systemtic Name: calcium 3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoate Openeye Name: calcium 3-(1-benzyloxycarbonyl-4-piperidyl)propanoate CAS Name: calcium 3-(1-phenylmethoxycarbonyl-4-piperidinyl)propanoate IUPAC Name: calcium 3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoate Traditional Name: calcium 3-(1-carbobenzoxy-4-piperidyl)propionate Formula: C32H40CaN2O8 MolecularWeight: 620.7466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)[O-])C(=O)OCC2=CC=CC=C2.C1CN(CCC1CCC(=O)[O-])C(=O)OCC2=CC=CC=C2.[Ca+2]

Isomeric SMILES

C1CN(CCC1CCC(=O)[O-])C(=O)OCC2=CC=CC=C2.C1CN(CCC1CCC(=O)[O-])C(=O)OCC2=CC=CC=C2.[Ca+2]

InChI

InChI=1S/2C16H21NO4.Ca/c2*18-15(19)7-6-13-8-10-17(11-9-13)16(20)21-12-14-4-2-1-3-5-14;/h2*1-5,13H,6-12H2,(H,18,19);/q;;+2/p-2