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

Systemtic Name: 2-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-yloxy)phenyl]carbonyl-2-methyl-indol-4-yl]ethanoic acid Openeye Name: 2-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-yloxy)benzoyl]-2-methyl-indol-4-yl]acetic acid CAS Name: 2-[1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-yloxy)phenyl]-oxomethyl]-2-methyl-4-indolyl]acetic acid IUPAC Name: 2-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-yloxy)benzoyl]-2-methylindol-4-yl]acetic acid Traditional Name: 2-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-yloxy)benzoyl]-2-methyl-indol-4-yl]acetic acid Formula: C27H23NO6 MolecularWeight: 457.47462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OC4COC5=CC=CC=C5OC4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OC4COC5=CC=CC=C5OC4)CC(=O)O

InChI

InChI=1S/C27H23NO6/c1-17-13-22-19(14-26(29)30)5-4-6-23(22)28(17)27(31)18-9-11-20(12-10-18)34-21-15-32-24-7-2-3-8-25(24)33-16-21/h2-13,21H,14-16H2,1H3,(H,29,30)