(2S)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-yl-methyl]-2-methyl-3-oxidanylidene-3-piperidin-1-yl-propanenitrile

Systemtic Name: (2S)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-yl-methyl]-2-methyl-3-oxidanylidene-3-piperidin-1-yl-propanenitrile Openeye Name: (2S)-2-[(S)-(2-methoxyphenyl)-(1-naphthyl)methyl]-2-methyl-3-oxo-3-(1-piperidyl)propanenitrile CAS Name: (2S)-2-[(S)-(2-methoxyphenyl)-(1-naphthalenyl)methyl]-2-methyl-3-oxo-3-(1-piperidinyl)propanenitrile IUPAC Name: (2S)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-ylmethyl]-2-methyl-3-oxo-3-piperidin-1-ylpropanenitrile Traditional Name: (2S)-3-keto-2-[(S)-(2-methoxyphenyl)-(1-naphthyl)methyl]-2-methyl-3-piperidino-propionitrile Formula: C27H28N2O2 MolecularWeight: 412.52342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C(C1=CC=CC=C1OC)C2=CC=CC3=CC=CC=C32)C(=O)N4CCCCC4

Isomeric SMILES

C[C@@](C#N)([C@H](C1=CC=CC=C1OC)C2=CC=CC3=CC=CC=C32)C(=O)N4CCCCC4

InChI

InChI=1S/C27H28N2O2/c1-27(19-28,26(30)29-17-8-3-9-18-29)25(23-14-6-7-16-24(23)31-2)22-15-10-12-20-11-4-5-13-21(20)22/h4-7,10-16,25H,3,8-9,17-18H2,1-2H3/t25-,27+/m0/s1