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

Systemtic Name: 2-[1-[4-(4H-1,4-benzoxazin-2-ylmethoxy)phenyl]carbonyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-[4-(4H-1,4-benzoxazin-2-ylmethoxy)benzoyl]-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[[4-(4H-1,4-benzoxazin-2-ylmethoxy)phenyl]-oxomethyl]-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-[4-(4H-1,4-benzoxazin-2-ylmethoxy)benzoyl]-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-[4-(4H-1,4-benzoxazin-2-ylmethoxy)benzoyl]-2-methyl-indol-3-yl]acetic acid Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4=CNC5=CC=CC=C5O4)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4=CNC5=CC=CC=C5O4)CC(=O)O

InChI

InChI=1S/C27H22N2O5/c1-17-22(14-26(30)31)21-6-2-4-8-24(21)29(17)27(32)18-10-12-19(13-11-18)33-16-20-15-28-23-7-3-5-9-25(23)34-20/h2-13,15,28H,14,16H2,1H3,(H,30,31)