methyl 1-(3-octoxy-3-oxidanylidene-propyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 1-(3-octoxy-3-oxidanylidene-propyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-(3-octoxy-3-oxo-propyl)-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 1-(3-octoxy-3-oxopropyl)-4-[N-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-octoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-(3-keto-3-octoxy-propyl)-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C27H42N2O5 MolecularWeight: 474.63278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCN1CCC(CC1)(C(=O)OC)N(C2=CC=CC=C2)C(=O)CC

Isomeric SMILES

CCCCCCCCOC(=O)CCN1CCC(CC1)(C(=O)OC)N(C2=CC=CC=C2)C(=O)CC

InChI

InChI=1S/C27H42N2O5/c1-4-6-7-8-9-13-22-34-25(31)16-19-28-20-17-27(18-21-28,26(32)33-3)29(24(30)5-2)23-14-11-10-12-15-23/h10-12,14-15H,4-9,13,16-22H2,1-3H3