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

Systemtic Name: (3S)-1-[(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(1S)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl]nipecotamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)N3CCC[C@@H](C3)C(=O)N)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-28-18-10-9-16(12-17(18)22)24-21(27)19(14-6-3-2-4-7-14)25-11-5-8-15(13-25)20(23)26/h2-4,6-7,9-10,12,15,19H,5,8,11,13H2,1H3,(H2,23,26)(H,24,27)/t15-,19-/m0/s1