methyl 2-[4-[2-azanyl-3-methyl-1-oxidanyl-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)butyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-azanyl-3-methyl-1-oxidanyl-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)butyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-amino-1-hydroxy-3-methyl-1-[2-(1-piperidyl)thiazol-4-yl]butyl]phenoxy]acetate CAS Name: 2-[4-[2-amino-1-hydroxy-3-methyl-1-[2-(1-piperidinyl)-4-thiazolyl]butyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-amino-1-hydroxy-3-methyl-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)butyl]phenoxy]acetate Traditional Name: 2-[4-[2-amino-1-hydroxy-3-methyl-1-(2-piperidinothiazol-4-yl)butyl]phenoxy]acetic acid methyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC=C(C=C1)OCC(=O)OC)(C2=CSC(=N2)N3CCCCC3)O)N

Isomeric SMILES

CC(C)C(C(C1=CC=C(C=C1)OCC(=O)OC)(C2=CSC(=N2)N3CCCCC3)O)N

InChI

InChI=1S/C22H31N3O4S/c1-15(2)20(23)22(27,16-7-9-17(10-8-16)29-13-19(26)28-3)18-14-30-21(24-18)25-11-5-4-6-12-25/h7-10,14-15,20,27H,4-6,11-13,23H2,1-3H3