[cyano-(3-phenoxyphenyl)methyl] 2-(1H-inden-2-yl)-3-methyl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(1H-inden-2-yl)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(1H-inden-2-yl)-3-methyl-butanoate CAS Name: 2-(1H-inden-2-yl)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(1H-inden-2-yl)-3-methylbutanoate Traditional Name: 2-(1H-inden-2-yl)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=CC=CC=C2C1)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=CC2=CC=CC=C2C1)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H25NO3/c1-19(2)27(23-15-20-9-6-7-10-21(20)16-23)28(30)32-26(18-29)22-11-8-14-25(17-22)31-24-12-4-3-5-13-24/h3-15,17,19,26-27H,16H2,1-2H3