ethyl 2-[4-[2-(4,4-dimethyl-7-pentyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]pentanoate

Systemtic Name: ethyl 2-[4-[2-(4,4-dimethyl-7-pentyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]pentanoate Openeye Name: ethyl 2-[4-[2-(4,4-dimethyl-7-pentyl-chroman-6-yl)ethynyl]phenyl]pentanoate CAS Name: 2-[4-[2-(4,4-dimethyl-7-pentyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(4,4-dimethyl-7-pentyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]pentanoate Traditional Name: 2-[4-[2-(7-amyl-4,4-dimethyl-chroman-6-yl)ethynyl]phenyl]valeric acid ethyl ester Formula: C31H40O3 MolecularWeight: 460.6475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(CCC)C(=O)OCC)C(CCO2)(C)C

Isomeric SMILES

CCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(CCC)C(=O)OCC)C(CCO2)(C)C

InChI

InChI=1S/C31H40O3/c1-6-9-10-12-25-22-29-28(31(4,5)19-20-34-29)21-26(25)18-15-23-13-16-24(17-14-23)27(11-7-2)30(32)33-8-3/h13-14,16-17,21-22,27H,6-12,19-20H2,1-5H3