[cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-naphthalen-2-yl-pentanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-naphthalen-2-yl-pentanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-(2-naphthyl)pentanoate CAS Name: 3-methyl-2-(2-naphthalenyl)pentanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-naphthalen-2-ylpentanoate Traditional Name: 3-methyl-2-(2-naphthyl)valeric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C30H27NO3 MolecularWeight: 449.54028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC2=CC=CC=C2C=C1)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC(C)C(C1=CC2=CC=CC=C2C=C1)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C30H27NO3/c1-3-21(2)29(25-17-16-22-10-7-8-11-23(22)18-25)30(32)34-28(20-31)24-12-9-15-27(19-24)33-26-13-5-4-6-14-26/h4-19,21,28-29H,3H2,1-2H3