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

Systemtic Name: 3-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]propanoic acid Openeye Name: 3-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxo-phthalazin-2-yl]propanoic acid CAS Name: 3-[4-[(1,4-dimethyl-3-indolyl)methyl]-1-oxo-2-phthalazinyl]propanoic acid IUPAC Name: 3-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxophthalazin-2-yl]propanoic acid Traditional Name: 3-[4-[(1,4-dimethylindol-3-yl)methyl]-1-keto-phthalazin-2-yl]propionic acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C=C2CC3=NN(C(=O)C4=CC=CC=C43)CCC(=O)O)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C=C2CC3=NN(C(=O)C4=CC=CC=C43)CCC(=O)O)C

InChI

InChI=1S/C22H21N3O3/c1-14-6-5-9-19-21(14)15(13-24(19)2)12-18-16-7-3-4-8-17(16)22(28)25(23-18)11-10-20(26)27/h3-9,13H,10-12H2,1-2H3,(H,26,27)