4-[3-methoxy-4-[[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]methyl]phenoxy]butanoic acid

Systemtic Name: 4-[3-methoxy-4-[[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]methyl]phenoxy]butanoic acid Openeye Name: 4-[3-methoxy-4-[[2-[(5-sulfo-1-naphthyl)amino]ethylamino]methyl]phenoxy]butanoic acid CAS Name: 4-[3-methoxy-4-[[2-[(5-sulfo-1-naphthalenyl)amino]ethylamino]methyl]phenoxy]butanoic acid IUPAC Name: 4-[3-methoxy-4-[[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]methyl]phenoxy]butanoic acid Traditional Name: 4-[3-methoxy-4-[[2-[(5-sulfo-1-naphthyl)amino]ethylamino]methyl]phenoxy]butyric acid Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCCCC(=O)O)CNCCNC2=CC=CC3=C2C=CC=C3S(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)OCCCC(=O)O)CNCCNC2=CC=CC3=C2C=CC=C3S(=O)(=O)O

InChI

InChI=1S/C24H28N2O7S/c1-32-22-15-18(33-14-4-9-24(27)28)11-10-17(22)16-25-12-13-26-21-7-2-6-20-19(21)5-3-8-23(20)34(29,30)31/h2-3,5-8,10-11,15,25-26H,4,9,12-14,16H2,1H3,(H,27,28)(H,29,30,31)