2-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-ylmethoxy)phenyl]carbonyl-2-methyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-ylmethoxy)phenyl]carbonyl-2-methyl-indol-4-yl]ethanoic acid Openeye Name: 2-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-ylmethoxy)benzoyl]-2-methyl-indol-4-yl]acetic acid CAS Name: 2-[1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-ylmethoxy)phenyl]-oxomethyl]-2-methyl-4-indolyl]acetic acid IUPAC Name: 2-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-ylmethoxy)benzoyl]-2-methylindol-4-yl]acetic acid Traditional Name: 2-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-ylmethoxy)benzoyl]-2-methyl-indol-4-yl]acetic acid Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4COC5=CC=CC=C5OC4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4COC5=CC=CC=C5OC4)CC(=O)O

InChI

InChI=1S/C28H25NO6/c1-18-13-23-21(14-27(30)31)5-4-6-24(23)29(18)28(32)20-9-11-22(12-10-20)33-15-19-16-34-25-7-2-3-8-26(25)35-17-19/h2-13,19H,14-17H2,1H3,(H,30,31)