methyl (2R)-3-(1H-indol-3-yl)-2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]propionic acid methyl ester Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O4/c1-35-27(34)23(15-17-16-28-22-14-8-7-11-19(17)22)29-25(32)24-20-12-5-6-13-21(20)26(33)31(30-24)18-9-3-2-4-10-18/h2-14,16,23,28H,15H2,1H3,(H,29,32)/t23-/m1/s1