methyl 2-azanyl-3-[4-[4-(pyridin-2-ylamino)phenoxy]phenyl]propanoate dihydrochloride

Systemtic Name: methyl 2-azanyl-3-[4-[4-(pyridin-2-ylamino)phenoxy]phenyl]propanoate dihydrochloride Openeye Name: methyl 2-amino-3-[4-[4-(2-pyridylamino)phenoxy]phenyl]propanoate dihydrochloride CAS Name: 2-amino-3-[4-[4-(2-pyridinylamino)phenoxy]phenyl]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 2-amino-3-[4-[4-(pyridin-2-ylamino)phenoxy]phenyl]propanoate dihydrochloride Traditional Name: 2-amino-3-[4-[4-(2-pyridylamino)phenoxy]phenyl]propionic acid methyl ester dihydrochloride Formula: C21H23Cl2N3O3 MolecularWeight: 436.33162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=CC=CC=N3)N.Cl.Cl

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=CC=CC=N3)N.Cl.Cl

InChI

InChI=1S/C21H21N3O3.2ClH/c1-26-21(25)19(22)14-15-5-9-17(10-6-15)27-18-11-7-16(8-12-18)24-20-4-2-3-13-23-20;;/h2-13,19H,14,22H2,1H3,(H,23,24);2*1H