4-oxidanylidene-4-[[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]amino]-3-phenyl-butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]amino]-3-phenyl-butanoic acid Openeye Name: 4-oxo-4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-3-phenyl-butanoic acid CAS Name: 4-oxo-4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-3-phenylbutanoic acid IUPAC Name: 4-oxo-4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-3-phenylbutanoic acid Traditional Name: 4-keto-4-[3-[(4-keto-3H-phthalazin-1-yl)methyl]anilino]-3-phenyl-butyric acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)C(=O)NC2=CC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)C(=O)NC2=CC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C25H21N3O4/c29-23(30)15-21(17-8-2-1-3-9-17)24(31)26-18-10-6-7-16(13-18)14-22-19-11-4-5-12-20(19)25(32)28-27-22/h1-13,21H,14-15H2,(H,26,31)(H,28,32)(H,29,30)