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

Systemtic Name: 4-[5-(ethylamino)-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(ethylamino)-2-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-4-oxo-butanoic acid CAS Name: 4-[5-(ethylamino)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(ethylamino)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-oxobutanoic acid Traditional Name: 4-[5-(ethylamino)-2-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-4-keto-butyric acid Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)CCC(=O)O

Isomeric SMILES

CCNC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)CCC(=O)O

InChI

InChI=1S/C18H28N2O5/c1-4-19-13-5-7-17(25-11-14(21)10-20-12(2)3)15(9-13)16(22)6-8-18(23)24/h5,7,9,12,14,19-21H,4,6,8,10-11H2,1-3H3,(H,23,24)