methyl 3-[(2R)-3-[2-cyanoethyl(2-methylpropyl)amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 3-[(2R)-3-[2-cyanoethyl(2-methylpropyl)amino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[(2R)-3-[2-cyanoethyl(isobutyl)amino]-2-hydroxy-propoxy]benzoate CAS Name: 3-[(2R)-3-[2-cyanoethyl(2-methylpropyl)amino]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(2R)-3-[2-cyanoethyl(2-methylpropyl)amino]-2-hydroxypropoxy]benzoate Traditional Name: 3-[(2R)-3-[2-cyanoethyl(isobutyl)amino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC#N)CC(COC1=CC=CC(=C1)C(=O)OC)O

Isomeric SMILES

CC(C)CN(CCC#N)C[C@H](COC1=CC=CC(=C1)C(=O)OC)O

InChI

InChI=1S/C18H26N2O4/c1-14(2)11-20(9-5-8-19)12-16(21)13-24-17-7-4-6-15(10-17)18(22)23-3/h4,6-7,10,14,16,21H,5,9,11-13H2,1-3H3/t16-/m1/s1