methyl 2-[4-[[2-(4-azanyl-3-cyano-phenyl)-2-oxidanyl-ethyl]-propan-2-yl-amino]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[[2-(4-azanyl-3-cyano-phenyl)-2-oxidanyl-ethyl]-propan-2-yl-amino]phenoxy]ethanoate Openeye Name: methyl 2-[4-[[2-(4-amino-3-cyano-phenyl)-2-hydroxy-ethyl]-isopropyl-amino]phenoxy]acetate CAS Name: 2-[4-[[2-(4-amino-3-cyanophenyl)-2-hydroxyethyl]-propan-2-ylamino]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[2-(4-amino-3-cyanophenyl)-2-hydroxyethyl]-propan-2-ylamino]phenoxy]acetate Traditional Name: 2-[4-[[2-(4-amino-3-cyano-phenyl)-2-hydroxy-ethyl]-isopropyl-amino]phenoxy]acetic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(C1=CC(=C(C=C1)N)C#N)O)C2=CC=C(C=C2)OCC(=O)OC

Isomeric SMILES

CC(C)N(CC(C1=CC(=C(C=C1)N)C#N)O)C2=CC=C(C=C2)OCC(=O)OC

InChI

InChI=1S/C21H25N3O4/c1-14(2)24(12-20(25)15-4-9-19(23)16(10-15)11-22)17-5-7-18(8-6-17)28-13-21(26)27-3/h4-10,14,20,25H,12-13,23H2,1-3H3