(2S)-2-[(phenylmethyl)amino]-2-(4-propoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-[(phenylmethyl)amino]-2-(4-propoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(benzylamino)-2-(4-propoxyphenyl)acetonitrile CAS Name: (2S)-2-[(phenylmethyl)amino]-2-(4-propoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(benzylamino)-2-(4-propoxyphenyl)acetonitrile Traditional Name: (2S)-2-(benzylamino)-2-(4-propoxyphenyl)acetonitrile Formula: C18H20N2O MolecularWeight: 280.3642

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C#N)NCC2=CC=CC=C2

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H](C#N)NCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O/c1-2-12-21-17-10-8-16(9-11-17)18(13-19)20-14-15-6-4-3-5-7-15/h3-11,18,20H,2,12,14H2,1H3/t18-/m1/s1