3-[4-[(1-methylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]propanoic acid

Systemtic Name: 3-[4-[(1-methylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]propanoic acid Openeye Name: 3-[4-[(1-methylindol-3-yl)methyl]-1-oxo-phthalazin-2-yl]propanoic acid CAS Name: 3-[4-[(1-methyl-3-indolyl)methyl]-1-oxo-2-phthalazinyl]propanoic acid IUPAC Name: 3-[4-[(1-methylindol-3-yl)methyl]-1-oxophthalazin-2-yl]propanoic acid Traditional Name: 3-[1-keto-4-[(1-methylindol-3-yl)methyl]phthalazin-2-yl]propionic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC3=NN(C(=O)C4=CC=CC=C43)CCC(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC3=NN(C(=O)C4=CC=CC=C43)CCC(=O)O

InChI

InChI=1S/C21H19N3O3/c1-23-13-14(15-6-4-5-9-19(15)23)12-18-16-7-2-3-8-17(16)21(27)24(22-18)11-10-20(25)26/h2-9,13H,10-12H2,1H3,(H,25,26)