2-[[4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-1H-phthalazin-2-yl]sulfonyl-phenylmethoxycarbonyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-1H-phthalazin-2-yl]sulfonyl-phenylmethoxycarbonyl-amino]ethanoic acid Openeye Name: 2-[benzyloxycarbonyl-[[4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-1H-phthalazin-2-yl]sulfonyl]amino]acetic acid CAS Name: 2-[[4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1H-phthalazin-2-yl]sulfonyl-phenylmethoxycarbonylamino]acetic acid IUPAC Name: 2-[[4-[(3,5-dichloropyridin-4-yl)methyl]-7-methoxy-1H-phthalazin-2-yl]sulfonyl-phenylmethoxycarbonylamino]acetic acid Traditional Name: 2-[carbobenzoxy-[[4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-1H-phthalazin-2-yl]sulfonyl]amino]acetic acid Formula: C25H22Cl2N4O7S MolecularWeight: 593.43578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN(C2)S(=O)(=O)N(CC(=O)O)C(=O)OCC3=CC=CC=C3)CC4=C(C=NC=C4Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN(C2)S(=O)(=O)N(CC(=O)O)C(=O)OCC3=CC=CC=C3)CC4=C(C=NC=C4Cl)Cl

InChI

InChI=1S/C25H22Cl2N4O7S/c1-37-18-7-8-19-17(9-18)13-31(29-23(19)10-20-21(26)11-28-12-22(20)27)39(35,36)30(14-24(32)33)25(34)38-15-16-5-3-2-4-6-16/h2-9,11-12H,10,13-15H2,1H3,(H,32,33)