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

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C28H24N4O4 MolecularWeight: 480.51456

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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)CC5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H24N4O4/c1-36-28(35)24(15-19-16-29-23-14-8-7-11-20(19)23)30-26(33)25-21-12-5-6-13-22(21)27(34)32(31-25)17-18-9-3-2-4-10-18/h2-14,16,24,29H,15,17H2,1H3,(H,30,33)/t24-/m1/s1