4-[2-[2-[1-(1,3-benzoxazol-2-yl)-4-phenyl-piperidin-4-yl]imidazol-1-yl]ethyl]benzoate

Systemtic Name: 4-[2-[2-[1-(1,3-benzoxazol-2-yl)-4-phenyl-piperidin-4-yl]imidazol-1-yl]ethyl]benzoate Openeye Name: 4-[2-[2-[1-(1,3-benzoxazol-2-yl)-4-phenyl-4-piperidyl]imidazol-1-yl]ethyl]benzoate CAS Name: 4-[2-[2-[1-(1,3-benzoxazol-2-yl)-4-phenyl-4-piperidinyl]-1-imidazolyl]ethyl]benzoate IUPAC Name: 4-[2-[2-[1-(1,3-benzoxazol-2-yl)-4-phenylpiperidin-4-yl]imidazol-1-yl]ethyl]benzoate Traditional Name: 4-[2-[2-[1-(1,3-benzoxazol-2-yl)-4-phenyl-4-piperidyl]imidazol-1-yl]ethyl]benzoate Formula: C30H27N4O3- MolecularWeight: 491.56038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C3=NC=CN3CCC4=CC=C(C=C4)C(=O)[O-])C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C3=NC=CN3CCC4=CC=C(C=C4)C(=O)[O-])C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C30H28N4O3/c35-27(36)23-12-10-22(11-13-23)14-18-33-21-17-31-28(33)30(24-6-2-1-3-7-24)15-19-34(20-16-30)29-32-25-8-4-5-9-26(25)37-29/h1-13,17,21H,14-16,18-20H2,(H,35,36)/p-1