methyl 4-[[2-(4-azanyl-3-chloranyl-5-cyano-phenyl)-2-oxidanyl-ethyl]-propan-2-yl-amino]benzoate

Systemtic Name: methyl 4-[[2-(4-azanyl-3-chloranyl-5-cyano-phenyl)-2-oxidanyl-ethyl]-propan-2-yl-amino]benzoate Openeye Name: methyl 4-[[2-(4-amino-3-chloro-5-cyano-phenyl)-2-hydroxy-ethyl]-isopropyl-amino]benzoate CAS Name: 4-[[2-(4-amino-3-chloro-5-cyanophenyl)-2-hydroxyethyl]-propan-2-ylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-amino-3-chloro-5-cyanophenyl)-2-hydroxyethyl]-propan-2-ylamino]benzoate Traditional Name: 4-[[2-(4-amino-3-chloro-5-cyano-phenyl)-2-hydroxy-ethyl]-isopropyl-amino]benzoic acid methyl ester Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3/c1-12(2)24(16-6-4-13(5-7-16)20(26)27-3)11-18(25)14-8-15(10-22)19(23)17(21)9-14/h4-9,12,18,25H,11,23H2,1-3H3