5-[bis(pyridin-2-ylmethyl)carbamoylamino]-2-(diphenylmethyl)oxy-benzoic acid

Systemtic Name: 5-[bis(pyridin-2-ylmethyl)carbamoylamino]-2-(diphenylmethyl)oxy-benzoic acid Openeye Name: 2-benzhydryloxy-5-[bis(2-pyridylmethyl)carbamoylamino]benzoic acid CAS Name: 5-[[[bis(2-pyridinylmethyl)amino]-oxomethyl]amino]-2-(diphenylmethyl)oxybenzoic acid IUPAC Name: 2-benzhydryloxy-5-[bis(pyridin-2-ylmethyl)carbamoylamino]benzoic acid Traditional Name: 2-benzhydryloxy-5-[bis(2-pyridylmethyl)carbamoylamino]benzoic acid Formula: C33H28N4O4 MolecularWeight: 544.59982

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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=CC=CC=N4)CC5=CC=CC=N5)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=CC=CC=N4)CC5=CC=CC=N5)C(=O)O

InChI

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