5-(2-methanoylphenyl)-2-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 5-(2-methanoylphenyl)-2-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]-5-(2-formylphenyl)benzonitrile CAS Name: 5-(2-formylphenyl)-2-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]benzonitrile IUPAC Name: 5-(2-formylphenyl)-2-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile Traditional Name: 2-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]-5-(2-formylphenyl)benzonitrile Formula: C31H30N2O3 MolecularWeight: 478.5815

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C=C(C=C3)C4=CC=CC=C4C=O)C#N)O

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C=C(C=C3)C4=CC=CC=C4C=O)C#N)O

InChI

InChI=1S/C31H30N2O3/c1-31(2,17-22-11-12-23-7-3-4-8-24(23)15-22)33-19-28(35)21-36-30-14-13-25(16-27(30)18-32)29-10-6-5-9-26(29)20-34/h3-16,20,28,33,35H,17,19,21H2,1-2H3