(phenylmethyl) 3-[2-(aminomethyl)-2-ethanoyl-pyrrolidin-3-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-(aminomethyl)-2-ethanoyl-pyrrolidin-3-yl]piperidine-1-carboxylate Openeye Name: benzyl 3-[2-acetyl-2-(aminomethyl)pyrrolidin-3-yl]piperidine-1-carboxylate CAS Name: 3-[2-acetyl-2-(aminomethyl)-3-pyrrolidinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-acetyl-2-(aminomethyl)pyrrolidin-3-yl]piperidine-1-carboxylate Traditional Name: 3-[2-acetyl-2-(aminomethyl)pyrrolidin-3-yl]piperidine-1-carboxylic acid benzyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(CCN1)C2CCCN(C2)C(=O)OCC3=CC=CC=C3)CN

Isomeric SMILES

CC(=O)C1(C(CCN1)C2CCCN(C2)C(=O)OCC3=CC=CC=C3)CN

InChI

InChI=1S/C20H29N3O3/c1-15(24)20(14-21)18(9-10-22-20)17-8-5-11-23(12-17)19(25)26-13-16-6-3-2-4-7-16/h2-4,6-7,17-18,22H,5,8-14,21H2,1H3