benzotriazol-1-yl 4-[4-(4-hexoxyphenyl)piperidin-1-yl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[4-(4-hexoxyphenyl)piperidin-1-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[4-(4-hexoxyphenyl)-1-piperidyl]benzoate CAS Name: 4-[4-(4-hexoxyphenyl)-1-piperidinyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[4-(4-hexoxyphenyl)piperidin-1-yl]benzoate Traditional Name: 4-[4-(4-hexoxyphenyl)piperidino]benzoic acid benzotriazol-1-yl ester Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C30H34N4O3/c1-2-3-4-7-22-36-27-16-12-23(13-17-27)24-18-20-33(21-19-24)26-14-10-25(11-15-26)30(35)37-34-29-9-6-5-8-28(29)31-32-34/h5-6,8-17,24H,2-4,7,18-22H2,1H3