2-[(3S)-3-oxidanylpiperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[(3S)-3-oxidanylpiperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[(3S)-3-hydroxy-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[(3S)-3-hydroxy-1-piperidinyl]ethyl ester IUPAC Name: 2-[(3S)-3-hydroxypiperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[(3S)-3-hydroxypiperidino]ethyl ester Formula: C15H21ClN2O4 MolecularWeight: 328.79124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCCC(C2)O)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC[C@@H](C2)O)Cl)N

InChI

InChI=1S/C15H21ClN2O4/c1-21-14-8-13(17)12(16)7-11(14)15(20)22-6-5-18-4-2-3-10(19)9-18/h7-8,10,19H,2-6,9,17H2,1H3/t10-/m0/s1