[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (2-keto-2-mesidino-ethyl) ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H21N3O4/c1-12-8-13(2)20(14(3)9-12)22-18(25)11-28-19(26)10-17-15-6-4-5-7-16(15)21(27)24-23-17/h4-9H,10-11H2,1-3H3,(H,22,25)(H,24,27)