ethyl 3-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]propanoate Openeye Name: ethyl 3-[4-[2-(4,4-diethyl-7-methyl-chroman-6-yl)ethynyl]phenyl]propanoate CAS Name: 3-[4-[2-(4,4-diethyl-7-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]propanoate Traditional Name: 3-[4-[2-(4,4-diethyl-7-methyl-chroman-6-yl)ethynyl]phenyl]propionic acid ethyl ester Formula: C27H32O3 MolecularWeight: 404.54118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCOC2=C1C=C(C(=C2)C)C#CC3=CC=C(C=C3)CCC(=O)OCC)CC

Isomeric SMILES

CCC1(CCOC2=C1C=C(C(=C2)C)C#CC3=CC=C(C=C3)CCC(=O)OCC)CC

InChI

InChI=1S/C27H32O3/c1-5-27(6-2)16-17-30-25-18-20(4)23(19-24(25)27)14-12-21-8-10-22(11-9-21)13-15-26(28)29-7-3/h8-11,18-19H,5-7,13,15-17H2,1-4H3