2-[1-[1-cyano-2,2-dimethyl-1-(3-phenoxyphenyl)propyl]naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[1-[1-cyano-2,2-dimethyl-1-(3-phenoxyphenyl)propyl]naphthalen-2-yl]ethanoic acid Openeye Name: 2-[1-[1-cyano-2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-2-naphthyl]acetic acid CAS Name: 2-[1-[1-cyano-2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-2-naphthalenyl]acetic acid IUPAC Name: 2-[1-[1-cyano-2,2-dimethyl-1-(3-phenoxyphenyl)propyl]naphthalen-2-yl]acetic acid Traditional Name: 2-[1-[1-cyano-2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-2-naphthyl]acetic acid Formula: C30H27NO3 MolecularWeight: 449.54028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C#N)(C1=CC(=CC=C1)OC2=CC=CC=C2)C3=C(C=CC4=CC=CC=C43)CC(=O)O

Isomeric SMILES

CC(C)(C)C(C#N)(C1=CC(=CC=C1)OC2=CC=CC=C2)C3=C(C=CC4=CC=CC=C43)CC(=O)O

InChI

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