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

Systemtic Name: methyl 4-[[2-(4-azanyl-3-cyano-phenyl)-2-oxidanyl-ethyl]-propan-2-yl-amino]benzoate Openeye Name: methyl 4-[[2-(4-amino-3-cyano-phenyl)-2-hydroxy-ethyl]-isopropyl-amino]benzoate CAS Name: 4-[[2-(4-amino-3-cyanophenyl)-2-hydroxyethyl]-propan-2-ylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-amino-3-cyanophenyl)-2-hydroxyethyl]-propan-2-ylamino]benzoate Traditional Name: 4-[[2-(4-amino-3-cyano-phenyl)-2-hydroxy-ethyl]-isopropyl-amino]benzoic acid methyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-13(2)23(17-7-4-14(5-8-17)20(25)26-3)12-19(24)15-6-9-18(22)16(10-15)11-21/h4-10,13,19,24H,12,22H2,1-3H3