5-chloranyl-2-(cyclopropylmethyl)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1-benzofuran-5-yl]-2H-imidazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-(cyclopropylmethyl)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1-benzofuran-5-yl]-2H-imidazole-4-carboxylic acid Openeye Name: 1-[3-(tert-butoxycarbonylamino)-2-phenyl-benzofuran-5-yl]-5-chloro-2-(cyclopropylmethyl)-3-methyl-2H-imidazole-4-carboxylic acid CAS Name: 5-chloro-2-(cyclopropylmethyl)-3-methyl-1-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenyl-5-benzofuranyl]-2H-imidazole-4-carboxylic acid IUPAC Name: 5-chloro-2-(cyclopropylmethyl)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1-benzofuran-5-yl]-2H-imidazole-4-carboxylic acid Traditional Name: 1-[3-(tert-butoxycarbonylamino)-2-phenyl-benzofuran-5-yl]-5-chloro-2-(cyclopropylmethyl)-3-methyl-4-imidazoline-4-carboxylic acid Formula: C28H30ClN3O5 MolecularWeight: 524.0079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(OC2=C1C=C(C=C2)N3C(N(C(=C3Cl)C(=O)O)C)CC4CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(OC2=C1C=C(C=C2)N3C(N(C(=C3Cl)C(=O)O)C)CC4CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H30ClN3O5/c1-28(2,3)37-27(35)30-22-19-15-18(12-13-20(19)36-24(22)17-8-6-5-7-9-17)32-21(14-16-10-11-16)31(4)23(25(32)29)26(33)34/h5-9,12-13,15-16,21H,10-11,14H2,1-4H3,(H,30,35)(H,33,34)