methyl 1-[(Z)-4-chloranyl-3-methyl-pent-3-enyl]-4-[phenyl(propanoyl)amino]piperidine-3-carboxylate

Systemtic Name: methyl 1-[(Z)-4-chloranyl-3-methyl-pent-3-enyl]-4-[phenyl(propanoyl)amino]piperidine-3-carboxylate Openeye Name: methyl 1-[(Z)-4-chloro-3-methyl-pent-3-enyl]-4-(N-propanoylanilino)piperidine-3-carboxylate CAS Name: 1-[(Z)-4-chloro-3-methylpent-3-enyl]-4-[N-(1-oxopropyl)anilino]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(Z)-4-chloro-3-methylpent-3-enyl]-4-(N-propanoylanilino)piperidine-3-carboxylate Traditional Name: 1-[(Z)-4-chloro-3-methyl-pent-3-enyl]-4-(N-propionylanilino)nipecotic acid methyl ester Formula: C22H31ClN2O3 MolecularWeight: 406.94614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1C(=O)OC)CCC(=C(C)Cl)C)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)N(C1CCN(CC1C(=O)OC)CC/C(=C(/C)\Cl)/C)C2=CC=CC=C2

InChI

InChI=1S/C22H31ClN2O3/c1-5-21(26)25(18-9-7-6-8-10-18)20-12-14-24(13-11-16(2)17(3)23)15-19(20)22(27)28-4/h6-10,19-20H,5,11-15H2,1-4H3/b17-16-