tert-butyl (2S)-2-[[6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]phthalazin-1-yl]amino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]phthalazin-1-yl]amino]propanoate Openeye Name: tert-butyl (2S)-2-[[6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]phthalazin-1-yl]amino]propanoate CAS Name: (2S)-2-[[6-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-1-phthalazinyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]phthalazin-1-yl]amino]propanoate Traditional Name: (2S)-2-[[6-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]phthalazin-1-yl]amino]propionic acid tert-butyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=NC(=C4C=C3)NC(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=NC(=C4C=C3)N[C@@H](C)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H30N4O3/c1-15-6-7-18(24(31)29-20-9-10-20)13-22(15)17-8-11-21-19(12-17)14-27-30-23(21)28-16(2)25(32)33-26(3,4)5/h6-8,11-14,16,20H,9-10H2,1-5H3,(H,28,30)(H,29,31)/t16-/m0/s1