[2-azanyl-2-(ethylamino)propanoyl] 1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: [2-azanyl-2-(ethylamino)propanoyl] 1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidine-3-carboxylate Openeye Name: [2-amino-2-(ethylamino)propanoyl] 1-[3-(1-benzyloxycarbonyl-4-piperidyl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-(1-phenylmethoxycarbonyl-4-piperidinyl)propyl]-3-piperidinecarboxylic acid [2-amino-2-(ethylamino)-1-oxopropyl] ester IUPAC Name: [2-amino-2-(ethylamino)propanoyl] 1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(1-carbobenzoxy-4-piperidyl)propanoyl]nipecotic acid [2-amino-2-(ethylamino)propanoyl] ester Formula: C27H40N4O6 MolecularWeight: 516.6297

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(C)(C(=O)OC(=O)C1CCCN(C1)C(=O)CCC2CCN(CC2)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CCNC(C)(C(=O)OC(=O)C1CCCN(C1)C(=O)CCC2CCN(CC2)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C27H40N4O6/c1-3-29-27(2,28)25(34)37-24(33)22-10-7-15-31(18-22)23(32)12-11-20-13-16-30(17-14-20)26(35)36-19-21-8-5-4-6-9-21/h4-6,8-9,20,22,29H,3,7,10-19,28H2,1-2H3