3-[2-azanyl-1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid

Systemtic Name: 3-[2-azanyl-1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-[2-amino-1-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[2-amino-1-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[2-amino-1-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[2-amino-1-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-1-methyl-indole-6-carboxylic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C19H16N2O5/c1-21-8-13(12-4-2-11(19(23)24)6-14(12)21)17(18(20)22)10-3-5-15-16(7-10)26-9-25-15/h2-8,17H,9H2,1H3,(H2,20,22)(H,23,24)