2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]oxy]acetic acid Formula: C24H24ClN5O4 MolecularWeight: 481.93146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)OCC(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)OCC(=O)O)Cl

InChI

InChI=1S/C24H24ClN5O4/c1-26-16-4-5-18-19(12-16)23(27-13-15-3-6-21(33-2)20(25)11-15)28-29-24(18)30-9-7-17(8-10-30)34-14-22(31)32/h3-6,11-12,17H,7-10,13-14H2,2H3,(H,27,28)(H,31,32)