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

Systemtic Name: 4-[5-(methylamino)-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[2-hydroxy-3-(isopropylamino)propoxy]-5-(methylamino)phenyl]-4-oxo-butanoic acid CAS Name: 4-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-(methylamino)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-(methylamino)phenyl]-4-oxobutanoic acid Traditional Name: 4-[2-[2-hydroxy-3-(isopropylamino)propoxy]-5-(methylamino)phenyl]-4-keto-butyric acid Formula: C17H26N2O5 MolecularWeight: 338.39874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=C(C=C(C=C1)NC)C(=O)CCC(=O)O)O

Isomeric SMILES

CC(C)NCC(COC1=C(C=C(C=C1)NC)C(=O)CCC(=O)O)O

InChI

InChI=1S/C17H26N2O5/c1-11(2)19-9-13(20)10-24-16-6-4-12(18-3)8-14(16)15(21)5-7-17(22)23/h4,6,8,11,13,18-20H,5,7,9-10H2,1-3H3,(H,22,23)