2-[2-[cyano-(3-phenoxyphenyl)methyl]-3,3-dimethyl-inden-1-yl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[2-[cyano-(3-phenoxyphenyl)methyl]-3,3-dimethyl-inden-1-yl]cyclopropane-1-carboxylic acid Openeye Name: 2-[2-[cyano-(3-phenoxyphenyl)methyl]-3,3-dimethyl-inden-1-yl]cyclopropanecarboxylic acid CAS Name: 2-[2-[cyano-(3-phenoxyphenyl)methyl]-3,3-dimethyl-1-indenyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[2-[cyano-(3-phenoxyphenyl)methyl]-3,3-dimethylinden-1-yl]cyclopropane-1-carboxylic acid Traditional Name: 2-[2-[cyano-(3-phenoxyphenyl)methyl]-3,3-dimethyl-inden-1-yl]cyclopropanecarboxylic acid Formula: C29H25NO3 MolecularWeight: 435.5137

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=C1C(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C5CC5C(=O)O)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(=C1C(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C5CC5C(=O)O)C

InChI

InChI=1S/C29H25NO3/c1-29(2)25-14-7-6-13-21(25)26(22-16-23(22)28(31)32)27(29)24(17-30)18-9-8-12-20(15-18)33-19-10-4-3-5-11-19/h3-15,22-24H,16H2,1-2H3,(H,31,32)