tert-butyl 7-[[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyridin-3-yl]carbonylamino]-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: tert-butyl 7-[[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyridin-3-yl]carbonylamino]-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: tert-butyl 7-[[2-(2,3-dihydrobenzofuran-5-ylmethylamino)pyridine-3-carbonyl]amino]-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 7-[[[2-(2,3-dihydrobenzofuran-5-ylmethylamino)-3-pyridinyl]-oxomethyl]amino]-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyridine-3-carbonyl]amino]-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 7-[[2-(coumaran-5-ylmethylamino)nicotinoyl]amino]-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylic acid tert-butyl ester Formula: C31H36N4O4 MolecularWeight: 528.64194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC5=C(C=C4)OCC5)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CNC(C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC5=C(C=C4)OCC5)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C31H36N4O4/c1-30(2,3)39-29(37)26-23-16-21(9-10-24(23)31(4,5)18-34-26)35-28(36)22-7-6-13-32-27(22)33-17-19-8-11-25-20(15-19)12-14-38-25/h6-11,13,15-16,26,34H,12,14,17-18H2,1-5H3,(H,32,33)(H,35,36)