methyl 1-[2-(4-azido-3-iodanyl-phenyl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-azido-3-iodanyl-phenyl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-azido-3-iodo-phenyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 1-[2-(4-azido-3-iodophenyl)ethyl]-4-[N-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-azido-3-iodophenyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-[2-(4-azido-3-iodo-phenyl)ethyl]-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C24H28IN5O3 MolecularWeight: 561.41529

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC(=C(C=C3)N=[N+]=[N-])I)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC(=C(C=C3)N=[N+]=[N-])I)C(=O)OC

InChI

InChI=1S/C24H28IN5O3/c1-3-22(31)30(19-7-5-4-6-8-19)24(23(32)33-2)12-15-29(16-13-24)14-11-18-9-10-21(27-28-26)20(25)17-18/h4-10,17H,3,11-16H2,1-2H3