diethyl 2-(phenylmethyl)-2-(2-piperidin-1-ylethyl)propanedioate

Systemtic Name: diethyl 2-(phenylmethyl)-2-(2-piperidin-1-ylethyl)propanedioate Openeye Name: diethyl 2-benzyl-2-[2-(1-piperidyl)ethyl]propanedioate CAS Name: 2-(phenylmethyl)-2-[2-(1-piperidinyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzyl-2-(2-piperidin-1-ylethyl)propanedioate Traditional Name: 2-benzyl-2-(2-piperidinoethyl)malonic acid diethyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN1CCCCC1)(CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCN1CCCCC1)(CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H31NO4/c1-3-25-19(23)21(20(24)26-4-2,17-18-11-7-5-8-12-18)13-16-22-14-9-6-10-15-22/h5,7-8,11-12H,3-4,6,9-10,13-17H2,1-2H3