2-[2-(1,3-benzodioxol-5-yl)-6-chloranyl-7-methyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-6-chloranyl-7-methyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-6-chloro-7-methyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-6-chloro-7-methyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-6-chloro-7-methyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-6-chloro-7-methyl-1H-indol-3-yl]acetic acid Formula: C18H14ClNO4 MolecularWeight: 343.76106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1NC(=C2CC(=O)O)C3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1NC(=C2CC(=O)O)C3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C18H14ClNO4/c1-9-13(19)4-3-11-12(7-16(21)22)18(20-17(9)11)10-2-5-14-15(6-10)24-8-23-14/h2-6,20H,7-8H2,1H3,(H,21,22)