1-(1,3-benzodioxol-5-ylmethyl)-3-methyl-indole-6-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-methyl-indole-6-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-methyl-indole-6-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-methyl-6-indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-methylindole-6-carboxylic acid Traditional Name: 3-methyl-1-piperonyl-indole-6-carboxylic acid Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=CC(=C2)C(=O)O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CN(C2=C1C=CC(=C2)C(=O)O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15NO4/c1-11-8-19(15-7-13(18(20)21)3-4-14(11)15)9-12-2-5-16-17(6-12)23-10-22-16/h2-8H,9-10H2,1H3,(H,20,21)