2-[4-[6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]phthalazin-1-yl]phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]phthalazin-1-yl]phenyl]-2-methyl-propanoic acid Openeye Name: 2-[4-[6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]phthalazin-1-yl]phenyl]-2-methyl-propanoic acid CAS Name: 2-[4-[6-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-1-phthalazinyl]phenyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]phthalazin-1-yl]phenyl]-2-methylpropanoic acid Traditional Name: 2-[4-[6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]phthalazin-1-yl]phenyl]-2-methyl-propionic acid Formula: C29H27N3O3 MolecularWeight: 465.54298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=NC(=C4C=C3)C5=CC=C(C=C5)C(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=NC(=C4C=C3)C5=CC=C(C=C5)C(C)(C)C(=O)O

InChI

InChI=1S/C29H27N3O3/c1-17-4-5-20(27(33)31-23-11-12-23)15-25(17)19-8-13-24-21(14-19)16-30-32-26(24)18-6-9-22(10-7-18)29(2,3)28(34)35/h4-10,13-16,23H,11-12H2,1-3H3,(H,31,33)(H,34,35)