5-[bis(pyridin-3-ylmethyl)carbamoylamino]-2-(diphenylmethyl)oxy-benzoate

Systemtic Name: 5-[bis(pyridin-3-ylmethyl)carbamoylamino]-2-(diphenylmethyl)oxy-benzoate Openeye Name: 2-benzhydryloxy-5-[bis(3-pyridylmethyl)carbamoylamino]benzoate CAS Name: 5-[[[bis(3-pyridinylmethyl)amino]-oxomethyl]amino]-2-(diphenylmethyl)oxybenzoate IUPAC Name: 2-benzhydryloxy-5-[bis(pyridin-3-ylmethyl)carbamoylamino]benzoate Traditional Name: 2-benzhydryloxy-5-[bis(3-pyridylmethyl)carbamoylamino]benzoate Formula: C33H27N4O4- MolecularWeight: 543.59188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=C(C=C(C=C3)NC(=O)N(CC4=CN=CC=C4)CC5=CN=CC=C5)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=C(C=C(C=C3)NC(=O)N(CC4=CN=CC=C4)CC5=CN=CC=C5)C(=O)[O-]

InChI

InChI=1S/C33H28N4O4/c38-32(39)29-19-28(15-16-30(29)41-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)36-33(40)37(22-24-9-7-17-34-20-24)23-25-10-8-18-35-21-25/h1-21,31H,22-23H2,(H,36,40)(H,38,39)/p-1