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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC2=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(CN(CC2=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)35-18-22-16-23(9-10-25(22)31(4,5)19-35)34-28(36)24-7-6-13-32-27(24)33-17-20-8-11-26-21(15-20)12-14-38-26/h6-11,13,15-16H,12,14,17-19H2,1-5H3,(H,32,33)(H,34,36)