4-[3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-phthalazin-1-yl]phenoxy]butanoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol

Systemtic Name: 4-[3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-phthalazin-1-yl]phenoxy]butanoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol Openeye Name: 4-[3-[4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-phthalazin-1-yl]phenoxy]butanoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol CAS Name: 4-[3-[4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-phthalazinyl]phenoxy]butanoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol IUPAC Name: 4-[3-[4-[(3,5-dichloropyridin-4-yl)methyl]-7-methoxyphthalazin-1-yl]phenoxy]butanoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol Traditional Name: 4-[3-[4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-phthalazin-1-yl]phenoxy]butyric acid; 6-(methylamino)hexane-1,2,3,4,5-pentol Formula: C32H38Cl2N4O9 MolecularWeight: 693.57152

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(C(C(C(CO)O)O)O)O.COC1=CC2=C(C=C1)C(=NN=C2C3=CC(=CC=C3)OCCCC(=O)O)CC4=C(C=NC=C4Cl)Cl

Isomeric SMILES

CNCC(C(C(C(CO)O)O)O)O.COC1=CC2=C(C=C1)C(=NN=C2C3=CC(=CC=C3)OCCCC(=O)O)CC4=C(C=NC=C4Cl)Cl

InChI

InChI=1S/C25H21Cl2N3O4.C7H17NO5/c1-33-16-7-8-18-19(11-16)25(15-4-2-5-17(10-15)34-9-3-6-24(31)32)30-29-23(18)12-20-21(26)13-28-14-22(20)27;1-8-2-4(10)6(12)7(13)5(11)3-9/h2,4-5,7-8,10-11,13-14H,3,6,9,12H2,1H3,(H,31,32);4-13H,2-3H2,1H3