ethyl 1-[(2S)-2-[(5-chloranyl-2-methoxy-phenyl)amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[(5-chloranyl-2-methoxy-phenyl)amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(5-chloro-2-methoxy-anilino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-(5-chloro-2-methoxyanilino)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(5-chloro-2-methoxyanilino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(5-chloro-2-methoxy-anilino)propanoyl]isonipecotic acid ethyl ester Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)NC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)NC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C18H25ClN2O4/c1-4-25-18(23)13-7-9-21(10-8-13)17(22)12(2)20-15-11-14(19)5-6-16(15)24-3/h5-6,11-13,20H,4,7-10H2,1-3H3/t12-/m0/s1