ethyl 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanoyl]-3-methyl-phenoxy]propanoate

Systemtic Name: ethyl 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanoyl]-3-methyl-phenoxy]propanoate Openeye Name: ethyl 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetyl]-3-methyl-phenoxy]propanoate CAS Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-oxoethyl]-3-methylphenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetyl]-3-methylphenoxy]propanoate Traditional Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetyl]-3-methyl-phenoxy]propionic acid ethyl ester Formula: C23H26O6 MolecularWeight: 398.44894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC(=C(C=C1)C(=O)CC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CCOC(=O)C(C)OC1=CC(=C(C=C1)C(=O)CC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C23H26O6/c1-4-26-23(25)16(3)29-18-7-8-19(15(2)12-18)20(24)13-17-6-9-21-22(14-17)28-11-5-10-27-21/h6-9,12,14,16H,4-5,10-11,13H2,1-3H3