3-(4-azanylbutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-5-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)C(=O)O)CCCCN

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)C(=O)O)CCCCN

InChI

InChI=1S/C21H22N2O4/c22-8-2-1-3-15-16-11-14(21(24)25)4-6-17(16)23-20(15)13-5-7-18-19(12-13)27-10-9-26-18/h4-7,11-12,23H,1-3,8-10,22H2,(H,24,25)