1,3,4-thiadiazol-2-yl 4-(4-methoxybutoxymethyl)-2-phenyl-3-piperidin-1-yl-benzoate

Systemtic Name: 1,3,4-thiadiazol-2-yl 4-(4-methoxybutoxymethyl)-2-phenyl-3-piperidin-1-yl-benzoate Openeye Name: 1,3,4-thiadiazol-2-yl 4-(4-methoxybutoxymethyl)-2-phenyl-3-(1-piperidyl)benzoate CAS Name: 4-(4-methoxybutoxymethyl)-2-phenyl-3-(1-piperidinyl)benzoic acid 1,3,4-thiadiazol-2-yl ester IUPAC Name: 1,3,4-thiadiazol-2-yl 4-(4-methoxybutoxymethyl)-2-phenyl-3-piperidin-1-ylbenzoate Traditional Name: 4-(4-methoxybutoxymethyl)-2-phenyl-3-piperidino-benzoic acid 1,3,4-thiadiazol-2-yl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCOCC1=C(C(=C(C=C1)C(=O)OC2=NN=CS2)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

COCCCCOCC1=C(C(=C(C=C1)C(=O)OC2=NN=CS2)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C26H31N3O4S/c1-31-16-8-9-17-32-18-21-12-13-22(25(30)33-26-28-27-19-34-26)23(20-10-4-2-5-11-20)24(21)29-14-6-3-7-15-29/h2,4-5,10-13,19H,3,6-9,14-18H2,1H3