[4-[bis(3-cyclopentyl-5-methyl-2-oxidanyl-phenyl)methyl]-3-methyl-phenyl] prop-2-ynoate

Systemtic Name: [4-[bis(3-cyclopentyl-5-methyl-2-oxidanyl-phenyl)methyl]-3-methyl-phenyl] prop-2-ynoate Openeye Name: [4-[bis(3-cyclopentyl-2-hydroxy-5-methyl-phenyl)methyl]-3-methyl-phenyl] prop-2-ynoate CAS Name: 2-propynoic acid [4-[bis(3-cyclopentyl-2-hydroxy-5-methylphenyl)methyl]-3-methylphenyl] ester IUPAC Name: [4-[bis(3-cyclopentyl-2-hydroxy-5-methylphenyl)methyl]-3-methylphenyl] prop-2-ynoate Traditional Name: propiolic acid [4-[bis(3-cyclopentyl-2-hydroxy-5-methyl-phenyl)methyl]-3-methyl-phenyl] ester Formula: C35H38O4 MolecularWeight: 522.67382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2CCCC2)O)C(C3=C(C=C(C=C3)OC(=O)C#C)C)C4=C(C(=CC(=C4)C)C5CCCC5)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C2CCCC2)O)C(C3=C(C=C(C=C3)OC(=O)C#C)C)C4=C(C(=CC(=C4)C)C5CCCC5)O

InChI

InChI=1S/C35H38O4/c1-5-32(36)39-26-14-15-27(23(4)20-26)33(30-18-21(2)16-28(34(30)37)24-10-6-7-11-24)31-19-22(3)17-29(35(31)38)25-12-8-9-13-25/h1,14-20,24-25,33,37-38H,6-13H2,2-4H3