(phenylmethyl) 4-(3-cyanophenoxy)-3-[(phenylmethyl)amino]butanoate

Systemtic Name: (phenylmethyl) 4-(3-cyanophenoxy)-3-[(phenylmethyl)amino]butanoate Openeye Name: benzyl 3-(benzylamino)-4-(3-cyanophenoxy)butanoate CAS Name: 4-(3-cyanophenoxy)-3-[(phenylmethyl)amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(benzylamino)-4-(3-cyanophenoxy)butanoate Traditional Name: 3-(benzylamino)-4-(3-cyanophenoxy)butyric acid benzyl ester Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC(=O)OCC2=CC=CC=C2)COC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC(=O)OCC2=CC=CC=C2)COC3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H24N2O3/c26-16-22-12-7-13-24(14-22)29-19-23(27-17-20-8-3-1-4-9-20)15-25(28)30-18-21-10-5-2-6-11-21/h1-14,23,27H,15,17-19H2