3-[2-(1,3-benzodioxol-5-yl)-5-methyl-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-5-methyl-1H-indol-3-yl]propanoic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-5-methyl-1H-indol-3-yl]propanoic acid CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-5-methyl-1H-indol-3-yl]propanoic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-5-methyl-1H-indol-3-yl]propanoic acid Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-5-methyl-1H-indol-3-yl]propionic acid Formula: C19H17NO4 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17NO4/c1-11-2-5-15-14(8-11)13(4-7-18(21)22)19(20-15)12-3-6-16-17(9-12)24-10-23-16/h2-3,5-6,8-9,20H,4,7,10H2,1H3,(H,21,22)