1-butyl-5-(carboxymethyloxy)-2-methyl-indole-3-carboxylic acid

Systemtic Name: 1-butyl-5-(carboxymethyloxy)-2-methyl-indole-3-carboxylic acid Openeye Name: 1-butyl-5-(carboxymethyloxy)-2-methyl-indole-3-carboxylic acid CAS Name: 1-butyl-5-(carboxymethyloxy)-2-methyl-3-indolecarboxylic acid IUPAC Name: 1-butyl-5-(carboxymethyloxy)-2-methylindole-3-carboxylic acid Traditional Name: 1-butyl-5-(carboxymethyloxy)-2-methyl-indole-3-carboxylic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2)OCC(=O)O)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2)OCC(=O)O)C(=O)O)C

InChI

InChI=1S/C16H19NO5/c1-3-4-7-17-10(2)15(16(20)21)12-8-11(5-6-13(12)17)22-9-14(18)19/h5-6,8H,3-4,7,9H2,1-2H3,(H,18,19)(H,20,21)