ethyl 1-[(2S)-2-azanyl-3-(4-chlorophenyl)propanoyl]-4-(oxan-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-azanyl-3-(4-chlorophenyl)propanoyl]-4-(oxan-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]-4-tetrahydropyran-4-yl-piperidine-4-carboxylate CAS Name: 1-[(2S)-2-amino-3-(4-chlorophenyl)-1-oxopropyl]-4-(4-oxanyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]-4-(oxan-4-yl)piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]-4-tetrahydropyran-4-yl-isonipecotic acid ethyl ester Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)Cl)N)C3CCOCC3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)[C@H](CC2=CC=C(C=C2)Cl)N)C3CCOCC3

InChI

InChI=1S/C22H31ClN2O4/c1-2-29-21(27)22(17-7-13-28-14-8-17)9-11-25(12-10-22)20(26)19(24)15-16-3-5-18(23)6-4-16/h3-6,17,19H,2,7-15,24H2,1H3/t19-/m0/s1