methyl 4-[2-oxidanyl-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propoxy]benzoate

Systemtic Name: methyl 4-[2-oxidanyl-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-yl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[4-[(2-phenylthiazol-4-yl)methyl]piperazino]propoxy]benzoic acid methyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H29N3O4S/c1-31-25(30)20-7-9-23(10-8-20)32-17-22(29)16-28-13-11-27(12-14-28)15-21-18-33-24(26-21)19-5-3-2-4-6-19/h2-10,18,22,29H,11-17H2,1H3