5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]-2-(diphenylmethyl)oxy-benzoate

Systemtic Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]-2-(diphenylmethyl)oxy-benzoate Openeye Name: 2-benzhydryloxy-5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 5-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]amino]-2-(diphenylmethyl)oxybenzoate IUPAC Name: 2-benzhydryloxy-5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-benzhydryloxy-5-[(4-piperonylpiperazine-1-carbonyl)amino]benzoate Formula: C33H30N3O6- MolecularWeight: 564.6078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=C(C=C4)OC(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=C(C=C4)OC(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)[O-]

InChI

InChI=1S/C33H31N3O6/c37-32(38)27-20-26(12-14-28(27)42-31(24-7-3-1-4-8-24)25-9-5-2-6-10-25)34-33(39)36-17-15-35(16-18-36)21-23-11-13-29-30(19-23)41-22-40-29/h1-14,19-20,31H,15-18,21-22H2,(H,34,39)(H,37,38)/p-1