ethyl 2-oxidanylidene-2-[[2-[propyl-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]pyridin-3-yl]amino]ethanoate

Systemtic Name: ethyl 2-oxidanylidene-2-[[2-[propyl-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]pyridin-3-yl]amino]ethanoate Openeye Name: ethyl 2-oxo-2-[[2-[propyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridyl]amino]acetate CAS Name: 2-oxo-2-[[2-[propyl-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]amino]-3-pyridinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-oxo-2-[[2-[propyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridin-3-yl]amino]acetate Traditional Name: 2-keto-2-[[2-[propyl-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]amino]-3-pyridyl]amino]acetic acid ethyl ester Formula: C45H41N7O3 MolecularWeight: 727.85214

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=C(C=CC=N7)NC(=O)C(=O)OCC

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=C(C=CC=N7)NC(=O)C(=O)OCC

InChI

InChI=1S/C45H41N7O3/c1-3-31-51(42-40(25-16-30-46-42)47-43(53)44(54)55-4-2)32-33-26-28-34(29-27-33)38-23-14-15-24-39(38)41-48-49-50-52(41)45(35-17-8-5-9-18-35,36-19-10-6-11-20-36)37-21-12-7-13-22-37/h5-30H,3-4,31-32H2,1-2H3,(H,47,53)