ethyl (3S)-1-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-iodoanilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(4-iodoanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(4-iodoanilino)-2-keto-ethyl]nipecotic acid ethyl ester Formula: C16H21IN2O3 MolecularWeight: 416.25401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C16H21IN2O3/c1-2-22-16(21)12-4-3-9-19(10-12)11-15(20)18-14-7-5-13(17)6-8-14/h5-8,12H,2-4,9-11H2,1H3,(H,18,20)/t12-/m0/s1