[3,5-dimethyl-2,6-bis(2-propan-2-ylphenyl)phenyl] (3R)-3-oxidanyl-5-phenyl-pent-4-ynoate

Systemtic Name: [3,5-dimethyl-2,6-bis(2-propan-2-ylphenyl)phenyl] (3R)-3-oxidanyl-5-phenyl-pent-4-ynoate Openeye Name: [2,6-bis(2-isopropylphenyl)-3,5-dimethyl-phenyl] (3R)-3-hydroxy-5-phenyl-pent-4-ynoate CAS Name: (3R)-3-hydroxy-5-phenyl-4-pentynoic acid [3,5-dimethyl-2,6-bis(2-propan-2-ylphenyl)phenyl] ester IUPAC Name: [3,5-dimethyl-2,6-bis(2-propan-2-ylphenyl)phenyl] (3R)-3-hydroxy-5-phenylpent-4-ynoate Traditional Name: (3R)-3-hydroxy-5-phenyl-pent-4-ynoic acid [3,5-dimethyl-2,6-bis(o-cumenyl)phenyl] ester Formula: C37H38O3 MolecularWeight: 530.69582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2=CC=CC=C2C(C)C)OC(=O)CC(C#CC3=CC=CC=C3)O)C4=CC=CC=C4C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C2=CC=CC=C2C(C)C)OC(=O)C[C@H](C#CC3=CC=CC=C3)O)C4=CC=CC=C4C(C)C)C

InChI

InChI=1S/C37H38O3/c1-24(2)30-16-10-12-18-32(30)35-26(5)22-27(6)36(33-19-13-11-17-31(33)25(3)4)37(35)40-34(39)23-29(38)21-20-28-14-8-7-9-15-28/h7-19,22,24-25,29,38H,23H2,1-6H3/t29-/m0/s1