2-[4-[(5-methoxy-1H-indol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[(5-methoxy-1H-indol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(5-methoxy-1H-indol-3-yl)methyl]-1-oxo-phthalazin-2-yl]acetic acid CAS Name: 2-[4-[(5-methoxy-1H-indol-3-yl)methyl]-1-oxo-2-phthalazinyl]acetic acid IUPAC Name: 2-[4-[(5-methoxy-1H-indol-3-yl)methyl]-1-oxophthalazin-2-yl]acetic acid Traditional Name: 2-[1-keto-4-[(5-methoxy-1H-indol-3-yl)methyl]phthalazin-2-yl]acetic acid Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CC3=NN(C(=O)C4=CC=CC=C43)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CC3=NN(C(=O)C4=CC=CC=C43)CC(=O)O

InChI

InChI=1S/C20H17N3O4/c1-27-13-6-7-17-16(9-13)12(10-21-17)8-18-14-4-2-3-5-15(14)20(26)23(22-18)11-19(24)25/h2-7,9-10,21H,8,11H2,1H3,(H,24,25)