benzotriazol-1-yl 4-[5-[4-(4-phenylmethoxypiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[5-[4-(4-phenylmethoxypiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-[4-(4-benzyloxy-1-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(4-phenylmethoxy-1-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-[4-(4-phenylmethoxypiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-(4-benzoxypiperidino)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C33H28N6O3S MolecularWeight: 588.67882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=CC=CC=C2)C3=CC=C(C=C3)C4=NN=C(S4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

Isomeric SMILES

C1CN(CCC1OCC2=CC=CC=C2)C3=CC=C(C=C3)C4=NN=C(S4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

InChI

InChI=1S/C33H28N6O3S/c40-33(42-39-30-9-5-4-8-29(30)34-37-39)26-12-10-24(11-13-26)31-35-36-32(43-31)25-14-16-27(17-15-25)38-20-18-28(19-21-38)41-22-23-6-2-1-3-7-23/h1-17,28H,18-22H2