methyl 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)carbonylamino]phenyl]propanoate hydrobromide

Systemtic Name: methyl 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)carbonylamino]phenyl]propanoate hydrobromide Openeye Name: methyl 3-[4-[[4-methyl-2-(4-piperidyl)thiazole-5-carbonyl]amino]phenyl]propanoate hydrobromide CAS Name: 3-[4-[[[4-methyl-2-(4-piperidinyl)-5-thiazolyl]-oxomethyl]amino]phenyl]propanoic acid methyl ester hydrobromide IUPAC Name: methyl 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoate hydrobromide Traditional Name: 3-[4-[[4-methyl-2-(4-piperidyl)thiazole-5-carbonyl]amino]phenyl]propionic acid methyl ester hydrobromide Formula: C20H26BrN3O3S MolecularWeight: 468.40774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2CCNCC2)C(=O)NC3=CC=C(C=C3)CCC(=O)OC.Br

Isomeric SMILES

CC1=C(SC(=N1)C2CCNCC2)C(=O)NC3=CC=C(C=C3)CCC(=O)OC.Br

InChI

InChI=1S/C20H25N3O3S.BrH/c1-13-18(27-20(22-13)15-9-11-21-12-10-15)19(25)23-16-6-3-14(4-7-16)5-8-17(24)26-2;/h3-4,6-7,15,21H,5,8-12H2,1-2H3,(H,23,25);1H