4-[2-[5-methyl-5-(propoxymethyl)-3,4-dihydro-2H-1-benzoxepin-8-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[5-methyl-5-(propoxymethyl)-3,4-dihydro-2H-1-benzoxepin-8-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[5-methyl-5-(propoxymethyl)-3,4-dihydro-2H-1-benzoxepin-8-yl]ethynyl]benzoic acid CAS Name: 4-[2-[5-methyl-5-(propoxymethyl)-3,4-dihydro-2H-1-benzoxepin-8-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[5-methyl-5-(propoxymethyl)-3,4-dihydro-2H-1-benzoxepin-8-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[5-methyl-5-(propoxymethyl)-3,4-dihydro-2H-1-benzoxepin-8-yl]ethynyl]benzoic acid Formula: C24H26O4 MolecularWeight: 378.46084

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1(CCCOC2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCCOCC1(CCCOC2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C24H26O4/c1-3-14-27-17-24(2)13-4-15-28-22-16-19(9-12-21(22)24)6-5-18-7-10-20(11-8-18)23(25)26/h7-12,16H,3-4,13-15,17H2,1-2H3,(H,25,26)