ethyl 7-methoxy-5-[3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]-3-oxidanylidene-propyl]-2-pent-4-ynyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 7-methoxy-5-[3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]-3-oxidanylidene-propyl]-2-pent-4-ynyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[3-[(5-hydroxy-1,5-dimethyl-hexyl)amino]-3-oxo-propyl]-7-methoxy-2-pent-4-ynyl-benzofuran-3-carboxylate CAS Name: 5-[3-[(6-hydroxy-6-methylheptan-2-yl)amino]-3-oxopropyl]-7-methoxy-2-pent-4-ynyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[(6-hydroxy-6-methylheptan-2-yl)amino]-3-oxopropyl]-7-methoxy-2-pent-4-ynyl-1-benzofuran-3-carboxylate Traditional Name: 5-[3-[(5-hydroxy-1,5-dimethyl-hexyl)amino]-3-keto-propyl]-7-methoxy-2-pent-4-ynyl-benzofuran-3-carboxylic acid ethyl ester Formula: C28H39NO6 MolecularWeight: 485.61236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C=C(C=C12)CCC(=O)NC(C)CCCC(C)(C)O)OC)CCCC#C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C=C(C=C12)CCC(=O)NC(C)CCCC(C)(C)O)OC)CCCC#C

InChI

InChI=1S/C28H39NO6/c1-7-9-10-13-22-25(27(31)34-8-2)21-17-20(18-23(33-6)26(21)35-22)14-15-24(30)29-19(3)12-11-16-28(4,5)32/h1,17-19,32H,8-16H2,2-6H3,(H,29,30)