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

Systemtic Name: 2-[4-[(1-methylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]pentanoic acid Openeye Name: 2-[4-[(1-methylindol-3-yl)methyl]-1-oxo-phthalazin-2-yl]pentanoic acid CAS Name: 2-[4-[(1-methyl-3-indolyl)methyl]-1-oxo-2-phthalazinyl]pentanoic acid IUPAC Name: 2-[4-[(1-methylindol-3-yl)methyl]-1-oxophthalazin-2-yl]pentanoic acid Traditional Name: 2-[1-keto-4-[(1-methylindol-3-yl)methyl]phthalazin-2-yl]valeric acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)N1C(=O)C2=CC=CC=C2C(=N1)CC3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCCC(C(=O)O)N1C(=O)C2=CC=CC=C2C(=N1)CC3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C23H23N3O3/c1-3-8-21(23(28)29)26-22(27)18-11-5-4-10-17(18)19(24-26)13-15-14-25(2)20-12-7-6-9-16(15)20/h4-7,9-12,14,21H,3,8,13H2,1-2H3,(H,28,29)