[1-(2-methylbutoxycarbonyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-oct-7-enoxybenzoate

Systemtic Name: [1-(2-methylbutoxycarbonyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-oct-7-enoxybenzoate Openeye Name: [1-(2-methylbutoxycarbonyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-oct-7-enoxybenzoate CAS Name: 4-oct-7-enoxybenzoic acid [1-[2-methylbutoxy(oxo)methyl]-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(2-methylbutoxycarbonyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-oct-7-enoxybenzoate Traditional Name: 4-oct-7-enoxybenzoic acid [1-(2-methylbutoxycarbonyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C33H40O5 MolecularWeight: 516.6677

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCC=C

Isomeric SMILES

CCC(C)COC(=O)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCC=C

InChI

InChI=1S/C33H40O5/c1-4-6-7-8-9-13-24-36-30-18-16-29(17-19-30)31(34)38-33(32(35)37-25-26(3)5-2)22-20-28(21-23-33)27-14-11-10-12-15-27/h4,10-12,14-23,26,28H,1,5-9,13,24-25H2,2-3H3