2-[[2-tert-butyl-5-[[2-[(2-methoxypyridin-4-yl)methylamino]pyridin-3-yl]carbonylamino]phenoxy]methyl]pyrrolidine-1-carboxylate

Systemtic Name: 2-[[2-tert-butyl-5-[[2-[(2-methoxypyridin-4-yl)methylamino]pyridin-3-yl]carbonylamino]phenoxy]methyl]pyrrolidine-1-carboxylate Openeye Name: 2-[[2-tert-butyl-5-[[2-[(2-methoxy-4-pyridyl)methylamino]pyridine-3-carbonyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[2-tert-butyl-5-[[[2-[(2-methoxy-4-pyridinyl)methylamino]-3-pyridinyl]-oxomethyl]amino]phenoxy]methyl]-1-pyrrolidinecarboxylate IUPAC Name: 2-[[2-tert-butyl-5-[[2-[(2-methoxypyridin-4-yl)methylamino]pyridine-3-carbonyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[2-tert-butyl-5-[[2-[(2-methoxy-4-pyridyl)methylamino]nicotinoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate Formula: C29H34N5O5- MolecularWeight: 532.61076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC(=NC=C3)OC)OCC4CCCN4C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC(=NC=C3)OC)OCC4CCCN4C(=O)[O-]

InChI

InChI=1S/C29H35N5O5/c1-29(2,3)23-10-9-20(16-24(23)39-18-21-7-6-14-34(21)28(36)37)33-27(35)22-8-5-12-31-26(22)32-17-19-11-13-30-25(15-19)38-4/h5,8-13,15-16,21H,6-7,14,17-18H2,1-4H3,(H,31,32)(H,33,35)(H,36,37)/p-1