dimethyl (2S)-2-[(5-naphthalen-2-yl-1,2,4-triazin-3-yl)amino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[(5-naphthalen-2-yl-1,2,4-triazin-3-yl)amino]pentanedioate Openeye Name: dimethyl (2S)-2-[[5-(2-naphthyl)-1,2,4-triazin-3-yl]amino]pentanedioate CAS Name: (2S)-2-[[5-(2-naphthalenyl)-1,2,4-triazin-3-yl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(5-naphthalen-2-yl-1,2,4-triazin-3-yl)amino]pentanedioate Traditional Name: (2S)-2-[[5-(2-naphthyl)-1,2,4-triazin-3-yl]amino]glutaric acid dimethyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC1=NC(=CN=N1)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)NC1=NC(=CN=N1)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H20N4O4/c1-27-18(25)10-9-16(19(26)28-2)22-20-23-17(12-21-24-20)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16H,9-10H2,1-2H3,(H,22,23,24)/t16-/m0/s1