methyl 3-[[[6-[[bis(phenylmethyl)amino]methyl]pyridin-2-yl]methyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxidanylpropyl)amino]ethyl]amino]methyl]benzoate

Systemtic Name: methyl 3-[[[6-[[bis(phenylmethyl)amino]methyl]pyridin-2-yl]methyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxidanylpropyl)amino]ethyl]amino]methyl]benzoate Openeye Name: methyl 3-[[2-[tert-butoxycarbonyl(3-hydroxypropyl)amino]ethyl-[[6-[(dibenzylamino)methyl]-2-pyridyl]methyl]amino]methyl]benzoate CAS Name: 3-[[[6-[[bis(phenylmethyl)amino]methyl]-2-pyridinyl]methyl-[2-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[6-[(dibenzylamino)methyl]pyridin-2-yl]methyl-[2-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methyl]benzoate Traditional Name: 3-[[2-[tert-butoxycarbonyl(3-hydroxypropyl)amino]ethyl-[[6-[(dibenzylamino)methyl]-2-pyridyl]methyl]amino]methyl]benzoic acid methyl ester Formula: C40H50N4O5 MolecularWeight: 666.8488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCO)CCN(CC1=CC=CC(=C1)C(=O)OC)CC2=CC=CC(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCO)CCN(CC1=CC=CC(=C1)C(=O)OC)CC2=CC=CC(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C40H50N4O5/c1-40(2,3)49-39(47)44(22-13-25-45)24-23-42(29-34-18-11-19-35(26-34)38(46)48-4)30-36-20-12-21-37(41-36)31-43(27-32-14-7-5-8-15-32)28-33-16-9-6-10-17-33/h5-12,14-21,26,45H,13,22-25,27-31H2,1-4H3