2-[4-[2-(8,8-dimethyl-5-oxidanylidene-4-propoxy-6,7-dihydronaphthalen-2-yl)ethynyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(8,8-dimethyl-5-oxidanylidene-4-propoxy-6,7-dihydronaphthalen-2-yl)ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(4,4-dimethyl-1-oxo-8-propoxy-tetralin-6-yl)ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-(8,8-dimethyl-5-oxo-4-propoxy-6,7-dihydronaphthalen-2-yl)ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-(8,8-dimethyl-5-oxo-4-propoxy-6,7-dihydronaphthalen-2-yl)ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(1-keto-4,4-dimethyl-8-propoxy-tetralin-6-yl)ethynyl]phenyl]acetic acid Formula: C25H26O4 MolecularWeight: 390.47154

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC2=C1C(=O)CCC2(C)C)C#CC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCCOC1=CC(=CC2=C1C(=O)CCC2(C)C)C#CC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C25H26O4/c1-4-13-29-22-15-19(14-20-24(22)21(26)11-12-25(20,2)3)10-7-17-5-8-18(9-6-17)16-23(27)28/h5-6,8-9,14-15H,4,11-13,16H2,1-3H3,(H,27,28)