methyl 2-[3-[4-azanyl-8-(butylamino)-7-methyl-5-oxidanyl-8-oxidanylidene-2-propan-2-yl-octyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[3-[4-azanyl-8-(butylamino)-7-methyl-5-oxidanyl-8-oxidanylidene-2-propan-2-yl-octyl]phenoxy]ethanoate Openeye Name: methyl 2-[3-[4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-7-methyl-8-oxo-octyl]phenoxy]acetate CAS Name: 2-[3-[4-amino-8-(butylamino)-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-[4-amino-8-(butylamino)-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctyl]phenoxy]acetate Traditional Name: 2-[3-[4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-8-keto-7-methyl-octyl]phenoxy]acetic acid methyl ester Formula: C25H42N2O5 MolecularWeight: 450.61138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(CC1=CC(=CC=C1)OCC(=O)OC)C(C)C)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(CC1=CC(=CC=C1)OCC(=O)OC)C(C)C)N)O

InChI

InChI=1S/C25H42N2O5/c1-6-7-11-27-25(30)18(4)12-23(28)22(26)15-20(17(2)3)13-19-9-8-10-21(14-19)32-16-24(29)31-5/h8-10,14,17-18,20,22-23,28H,6-7,11-13,15-16,26H2,1-5H3,(H,27,30)