methyl 7-(5-azanyl-2,2-dimethyl-6-propan-2-yl-3H-1-benzofuran-7-yl)-3,5-bis(oxidanyl)heptanoate

Systemtic Name: methyl 7-(5-azanyl-2,2-dimethyl-6-propan-2-yl-3H-1-benzofuran-7-yl)-3,5-bis(oxidanyl)heptanoate Openeye Name: methyl 7-(5-amino-6-isopropyl-2,2-dimethyl-3H-benzofuran-7-yl)-3,5-dihydroxy-heptanoate CAS Name: 7-(5-amino-2,2-dimethyl-6-propan-2-yl-3H-benzofuran-7-yl)-3,5-dihydroxyheptanoic acid methyl ester IUPAC Name: methyl 7-(5-amino-2,2-dimethyl-6-propan-2-yl-3H-1-benzofuran-7-yl)-3,5-dihydroxyheptanoate Traditional Name: 7-(5-amino-6-isopropyl-2,2-dimethyl-coumaran-7-yl)-3,5-dihydroxy-enanthic acid methyl ester Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2CC(OC2=C1CCC(CC(CC(=O)OC)O)O)(C)C)N

Isomeric SMILES

CC(C)C1=C(C=C2CC(OC2=C1CCC(CC(CC(=O)OC)O)O)(C)C)N

InChI

InChI=1S/C21H33NO5/c1-12(2)19-16(7-6-14(23)9-15(24)10-18(25)26-5)20-13(8-17(19)22)11-21(3,4)27-20/h8,12,14-15,23-24H,6-7,9-11,22H2,1-5H3