ethyl 1-[3-[6-azanylhexanoyl(phenethyl)amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[6-azanylhexanoyl(phenethyl)amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[6-aminohexanoyl(phenethyl)amino]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[(6-amino-1-oxohexyl)-phenethylamino]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[6-aminohexanoyl(phenethyl)amino]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[6-aminohexanoyl(phenethyl)amino]propanoyl]isonipecotic acid ethyl ester Formula: C25H39N3O4 MolecularWeight: 445.59486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCN(CCC2=CC=CC=C2)C(=O)CCCCCN

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCN(CCC2=CC=CC=C2)C(=O)CCCCCN

InChI

InChI=1S/C25H39N3O4/c1-2-32-25(31)22-13-18-28(19-14-22)24(30)15-20-27(23(29)11-7-4-8-16-26)17-12-21-9-5-3-6-10-21/h3,5-6,9-10,22H,2,4,7-8,11-20,26H2,1H3