ethyl 4-[4-[(4-methoxycarbonylphenyl)amino]phthalazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[(4-methoxycarbonylphenyl)amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-(4-methoxycarbonylanilino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(4-methoxycarbonylanilino)-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methoxycarbonylanilino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(4-carbomethoxyanilino)phthalazin-1-yl]benzoic acid ethyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H21N3O4/c1-3-32-25(30)18-10-8-16(9-11-18)22-20-6-4-5-7-21(20)23(28-27-22)26-19-14-12-17(13-15-19)24(29)31-2/h4-15H,3H2,1-2H3,(H,26,28)