methyl 2-[4-[4-(naphthalen-2-ylamino)phthalazin-1-yl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[4-(naphthalen-2-ylamino)phthalazin-1-yl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[4-(2-naphthylamino)phthalazin-1-yl]phenoxy]acetate CAS Name: 2-[4-[4-(2-naphthalenylamino)-1-phthalazinyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(naphthalen-2-ylamino)phthalazin-1-yl]phenoxy]acetate Traditional Name: 2-[4-[4-(2-naphthylamino)phthalazin-1-yl]phenoxy]acetic acid methyl ester Formula: C27H21N3O3 MolecularWeight: 435.47394

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H21N3O3/c1-32-25(31)17-33-22-14-11-19(12-15-22)26-23-8-4-5-9-24(23)27(30-29-26)28-21-13-10-18-6-2-3-7-20(18)16-21/h2-16H,17H2,1H3,(H,28,30)