methyl (2S)-2-azanyl-3-[4-[4-[(3-cyanopyridin-2-yl)amino]phenoxy]phenyl]propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[4-[4-[(3-cyanopyridin-2-yl)amino]phenoxy]phenyl]propanoate Openeye Name: methyl (2S)-2-amino-3-[4-[4-[(3-cyano-2-pyridyl)amino]phenoxy]phenyl]propanoate CAS Name: (2S)-2-amino-3-[4-[4-[(3-cyano-2-pyridinyl)amino]phenoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-[4-[4-[(3-cyanopyridin-2-yl)amino]phenoxy]phenyl]propanoate Traditional Name: (2S)-2-amino-3-[4-[4-[(3-cyano-2-pyridyl)amino]phenoxy]phenyl]propionic acid methyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=CC=N3)C#N)N

InChI

InChI=1S/C22H20N4O3/c1-28-22(27)20(24)13-15-4-8-18(9-5-15)29-19-10-6-17(7-11-19)26-21-16(14-23)3-2-12-25-21/h2-12,20H,13,24H2,1H3,(H,25,26)/t20-/m0/s1