methyl (2S)-2-[2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(1,4-dioxo-3H-phthalazin-2-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(1,4-diketo-3H-phthalazin-2-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H19N3O5/c1-28-20(27)16(11-13-7-3-2-4-8-13)21-17(24)12-23-19(26)15-10-6-5-9-14(15)18(25)22-23/h2-10,16H,11-12H2,1H3,(H,21,24)(H,22,25)/t16-/m0/s1