ethyl 1-[(2S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(3-chloro-4-methoxy-anilino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-(3-chloro-4-methoxyanilino)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(3-chloro-4-methoxyanilino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(3-chloro-4-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=CC(=C(C=C2)OC)Cl

Isomeric SMILES

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

InChI

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