[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C20H27N3O5/c1-13(2)7-6-8-14(3)21-17(24)12-28-18(25)11-23-20(27)16-10-5-4-9-15(16)19(26)22-23/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3,(H,21,24)(H,22,26)