2-[2-(1,3-benzodioxol-5-yl)-4-chloranyl-7-methyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-4-chloranyl-7-methyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-4-chloro-7-methyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-4-chloro-7-methyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-4-chloro-7-methyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-4-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=C2C(=C(C=C1)Cl)C(=C(N2)C3=CC4=C(C=C3)OCO4)CC(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)C(=C(N2)C3=CC4=C(C=C3)OCO4)CC(=O)O

InChI

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