methyl 3-[2-(2-butan-2-ylphenyl)-3-methyl-butyl]benzoate

Systemtic Name: methyl 3-[2-(2-butan-2-ylphenyl)-3-methyl-butyl]benzoate Openeye Name: methyl 3-[3-methyl-2-(2-sec-butylphenyl)butyl]benzoate CAS Name: 3-[2-(2-butan-2-ylphenyl)-3-methylbutyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(2-butan-2-ylphenyl)-3-methylbutyl]benzoate Traditional Name: 3-[3-methyl-2-(2-sec-butylphenyl)butyl]benzoic acid methyl ester Formula: C23H30O2 MolecularWeight: 338.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1C(CC2=CC=CC(=C2)C(=O)OC)C(C)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1C(CC2=CC=CC(=C2)C(=O)OC)C(C)C

InChI

InChI=1S/C23H30O2/c1-6-17(4)20-12-7-8-13-21(20)22(16(2)3)15-18-10-9-11-19(14-18)23(24)25-5/h7-14,16-17,22H,6,15H2,1-5H3