4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]butanoic acid

Systemtic Name: 4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]butanoic acid Openeye Name: 4-[[4-(p-tolyl)phthalazin-1-yl]amino]butanoic acid CAS Name: 4-[[4-(4-methylphenyl)-1-phthalazinyl]amino]butanoic acid IUPAC Name: 4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]butanoic acid Traditional Name: 4-[[4-(p-tolyl)phthalazin-1-yl]amino]butyric acid Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCCCC(=O)O

InChI

InChI=1S/C19H19N3O2/c1-13-8-10-14(11-9-13)18-15-5-2-3-6-16(15)19(22-21-18)20-12-4-7-17(23)24/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,22)(H,23,24)