3-(4-azanylbutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-1H-indole-4-carboxylic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC4=C(C=C3)OCCO4)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC4=C(C=C3)OCCO4)CCCCN

InChI

InChI=1S/C22H24N2O4/c1-13-5-7-16(22(25)26)19-15(4-2-3-9-23)21(24-20(13)19)14-6-8-17-18(12-14)28-11-10-27-17/h5-8,12,24H,2-4,9-11,23H2,1H3,(H,25,26)