tert-butyl 3-[4-(1H-indol-3-ylmethyl)-1-oxidanylidene-phthalazin-2-yl]propanoate

Systemtic Name: tert-butyl 3-[4-(1H-indol-3-ylmethyl)-1-oxidanylidene-phthalazin-2-yl]propanoate Openeye Name: tert-butyl 3-[4-(1H-indol-3-ylmethyl)-1-oxo-phthalazin-2-yl]propanoate CAS Name: 3-[4-(1H-indol-3-ylmethyl)-1-oxo-2-phthalazinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(1H-indol-3-ylmethyl)-1-oxophthalazin-2-yl]propanoate Traditional Name: 3-[4-(1H-indol-3-ylmethyl)-1-keto-phthalazin-2-yl]propionic acid tert-butyl ester Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H25N3O3/c1-24(2,3)30-22(28)12-13-27-23(29)19-10-5-4-9-18(19)21(26-27)14-16-15-25-20-11-7-6-8-17(16)20/h4-11,15,25H,12-14H2,1-3H3