methyl 1-(cyclooctylmethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 1-(cyclooctylmethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-(cyclooctylmethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 1-(cyclooctylmethyl)-4-[N-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(cyclooctylmethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-(cyclooctylmethyl)-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C25H38N2O3 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3CCCCCCC3)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3CCCCCCC3)C(=O)OC

InChI

InChI=1S/C25H38N2O3/c1-3-23(28)27(22-14-10-7-11-15-22)25(24(29)30-2)16-18-26(19-17-25)20-21-12-8-5-4-6-9-13-21/h7,10-11,14-15,21H,3-6,8-9,12-13,16-20H2,1-2H3