ethyl (3S,4R)-4-[(2-azanyl-4-chloranyl-phenyl)amino]-3-oxidanyl-piperidine-1-carboxylate

Systemtic Name: ethyl (3S,4R)-4-[(2-azanyl-4-chloranyl-phenyl)amino]-3-oxidanyl-piperidine-1-carboxylate Openeye Name: ethyl (3S,4R)-4-(2-amino-4-chloro-anilino)-3-hydroxy-piperidine-1-carboxylate CAS Name: (3S,4R)-4-(2-amino-4-chloroanilino)-3-hydroxy-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-(2-amino-4-chloroanilino)-3-hydroxypiperidine-1-carboxylate Traditional Name: (3S,4R)-4-(2-amino-4-chloro-anilino)-3-hydroxy-piperidine-1-carboxylic acid ethyl ester Formula: C14H20ClN3O3 MolecularWeight: 313.7799

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C(C1)O)NC2=C(C=C(C=C2)Cl)N

Isomeric SMILES

CCOC(=O)N1CC[C@H]([C@H](C1)O)NC2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C14H20ClN3O3/c1-2-21-14(20)18-6-5-12(13(19)8-18)17-11-4-3-9(15)7-10(11)16/h3-4,7,12-13,17,19H,2,5-6,8,16H2,1H3/t12-,13+/m1/s1