tert-butyl 3-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]propanoate

Systemtic Name: tert-butyl 3-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]propanoate Openeye Name: tert-butyl 3-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxo-phthalazin-2-yl]propanoate CAS Name: 3-[4-[(1,4-dimethyl-3-indolyl)methyl]-1-oxo-2-phthalazinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxophthalazin-2-yl]propanoate Traditional Name: 3-[4-[(1,4-dimethylindol-3-yl)methyl]-1-keto-phthalazin-2-yl]propionic acid tert-butyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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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)OC(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c1-17-9-8-12-22-24(17)18(16-28(22)5)15-21-19-10-6-7-11-20(19)25(31)29(27-21)14-13-23(30)32-26(2,3)4/h6-12,16H,13-15H2,1-5H3