6-(1H-indol-2-ylcarbonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid

Systemtic Name: 6-(1H-indol-2-ylcarbonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid Openeye Name: 6-(1H-indole-2-carbonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid CAS Name: 6-[[1H-indol-2-yl(oxo)methyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxylic acid IUPAC Name: 6-(1H-indole-2-carbonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid Traditional Name: 6-(1H-indole-2-carbonylamino)-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxylic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC(=C2OC1)NC(=O)C3=CC4=CC=CC=C4N3)C(=O)O

Isomeric SMILES

C1COC2=C(C=CC(=C2OC1)NC(=O)C3=CC4=CC=CC=C4N3)C(=O)O

InChI

InChI=1S/C19H16N2O5/c22-18(15-10-11-4-1-2-5-13(11)20-15)21-14-7-6-12(19(23)24)16-17(14)26-9-3-8-25-16/h1-2,4-7,10,20H,3,8-9H2,(H,21,22)(H,23,24)