methyl (3S,4S)-4-[4-[(Z)-2-iodanylethenyl]phenyl]-1-methyl-piperidine-3-carboxylate

Systemtic Name: methyl (3S,4S)-4-[4-[(Z)-2-iodanylethenyl]phenyl]-1-methyl-piperidine-3-carboxylate Openeye Name: methyl (3S,4S)-4-[4-[(Z)-2-iodanylvinyl]phenyl]-1-methyl-piperidine-3-carboxylate CAS Name: (3S,4S)-4-[4-[(Z)-2-iodanylethenyl]phenyl]-1-methyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-4-[4-[(Z)-2-iodanylethenyl]phenyl]-1-methylpiperidine-3-carboxylate Traditional Name: (3S,4S)-4-[4-[(Z)-2-iodanylvinyl]phenyl]-1-methyl-nipecotic acid methyl ester Formula: C16H20INO2 MolecularWeight: 381.241098

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C(=O)OC)C2=CC=C(C=C2)C=CI

Isomeric SMILES

CN1CC[C@@H]([C@@H](C1)C(=O)OC)C2=CC=C(C=C2)/C=C\[123I]

InChI

InChI=1S/C16H20INO2/c1-18-10-8-14(15(11-18)16(19)20-2)13-5-3-12(4-6-13)7-9-17/h3-7,9,14-15H,8,10-11H2,1-2H3/b9-7-/t14-,15-/m1/s1/i17-4