2-methylpropyl 5-[(3-phenoxyphenyl)methyl]cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: 2-methylpropyl 5-[(3-phenoxyphenyl)methyl]cyclohexa-1,5-diene-1-carboxylate Openeye Name: isobutyl 5-[(3-phenoxyphenyl)methyl]cyclohexa-1,5-diene-1-carboxylate CAS Name: 5-[(3-phenoxyphenyl)methyl]-1-cyclohexa-1,5-dienecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-[(3-phenoxyphenyl)methyl]cyclohexa-1,5-diene-1-carboxylate Traditional Name: 5-(3-phenoxybenzyl)cyclohexa-1,5-diene-1-carboxylic acid isobutyl ester Formula: C24H26O3 MolecularWeight: 362.46144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CCCC(=C1)CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=O)C1=CCCC(=C1)CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C24H26O3/c1-18(2)17-26-24(25)21-10-6-8-19(15-21)14-20-9-7-13-23(16-20)27-22-11-4-3-5-12-22/h3-5,7,9-13,15-16,18H,6,8,14,17H2,1-2H3