ethyl 1-[3-[(2,5-dimethylfuran-3-yl)carbonyl-(phenylmethyl)amino]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[(2,5-dimethylfuran-3-yl)carbonyl-(phenylmethyl)amino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[benzyl-(2,5-dimethylfuran-3-carbonyl)amino]propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]-(phenylmethyl)amino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[benzyl-(2,5-dimethylfuran-3-carbonyl)amino]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[benzyl-(2,5-dimethyl-3-furoyl)amino]propanoyl]nipecotic acid ethyl ester Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN(CC2=CC=CC=C2)C(=O)C3=C(OC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN(CC2=CC=CC=C2)C(=O)C3=C(OC(=C3)C)C

InChI

InChI=1S/C25H32N2O5/c1-4-31-25(30)21-11-8-13-26(17-21)23(28)12-14-27(16-20-9-6-5-7-10-20)24(29)22-15-18(2)32-19(22)3/h5-7,9-10,15,21H,4,8,11-14,16-17H2,1-3H3