pyridin-3-yl 4-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)-2-ethyl-but-3-ynoate

Systemtic Name: pyridin-3-yl 4-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)-2-ethyl-but-3-ynoate Openeye Name: 3-pyridyl 4-(4,4-diethyl-7-methyl-chroman-6-yl)-2-ethyl-but-3-ynoate CAS Name: 4-(4,4-diethyl-7-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-ethyl-3-butynoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)-2-ethylbut-3-ynoate Traditional Name: 4-(4,4-diethyl-7-methyl-chroman-6-yl)-2-ethyl-but-3-ynoic acid 3-pyridyl ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC1=CC2=C(C=C1C)OCCC2(CC)CC)C(=O)OC3=CN=CC=C3

Isomeric SMILES

CCC(C#CC1=CC2=C(C=C1C)OCCC2(CC)CC)C(=O)OC3=CN=CC=C3

InChI

InChI=1S/C25H29NO3/c1-5-19(24(27)29-21-9-8-13-26-17-21)10-11-20-16-22-23(15-18(20)4)28-14-12-25(22,6-2)7-3/h8-9,13,15-17,19H,5-7,12,14H2,1-4H3