3-(hydroxymethyl)-4-(3-methoxy-4-phenylmethoxy-phenyl)butanenitrile

Systemtic Name: 3-(hydroxymethyl)-4-(3-methoxy-4-phenylmethoxy-phenyl)butanenitrile Openeye Name: 3-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-hydroxy-butanenitrile CAS Name: 3-(hydroxymethyl)-4-(3-methoxy-4-phenylmethoxyphenyl)butanenitrile IUPAC Name: 3-(hydroxymethyl)-4-(3-methoxy-4-phenylmethoxyphenyl)butanenitrile Traditional Name: 3-(4-benzoxy-3-methoxy-benzyl)-4-hydroxy-butyronitrile Formula: C19H21NO3 MolecularWeight: 313.36025

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(CC#N)CO)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[13CH2]C(C[13C]#N)CO)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO3/c1-22-19-12-16(11-17(13-21)9-10-20)7-8-18(19)23-14-15-5-3-2-4-6-15/h2-8,12,17,21H,9,11,13-14H2,1H3/i10+1,11+1