4-[5-(butylamino)-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(butylamino)-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(butylamino)-2-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-4-oxo-butanoic acid CAS Name: 4-[5-(butylamino)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(butylamino)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-oxobutanoic acid Traditional Name: 4-[5-(butylamino)-2-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-4-keto-butyric acid Formula: C20H32N2O5 MolecularWeight: 380.47848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)CCC(=O)O

Isomeric SMILES

CCCCNC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)CCC(=O)O

InChI

InChI=1S/C20H32N2O5/c1-4-5-10-21-15-6-8-19(27-13-16(23)12-22-14(2)3)17(11-15)18(24)7-9-20(25)26/h6,8,11,14,16,21-23H,4-5,7,9-10,12-13H2,1-3H3,(H,25,26)