methyl 2-[4-[4-[(4-bromophenyl)amino]phthalazin-1-yl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[4-[(4-bromophenyl)amino]phthalazin-1-yl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[4-(4-bromoanilino)phthalazin-1-yl]phenoxy]acetate CAS Name: 2-[4-[4-(4-bromoanilino)-1-phthalazinyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(4-bromoanilino)phthalazin-1-yl]phenoxy]acetate Traditional Name: 2-[4-[4-(4-bromoanilino)phthalazin-1-yl]phenoxy]acetic acid methyl ester Formula: C23H18BrN3O3 MolecularWeight: 464.31132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrN3O3/c1-29-21(28)14-30-18-12-6-15(7-13-18)22-19-4-2-3-5-20(19)23(27-26-22)25-17-10-8-16(24)9-11-17/h2-13H,14H2,1H3,(H,25,27)