3-chloranyl-6-(methylaminomethyl)-5,6-dihydrobenzo[b][1]benzoxepine-5-carboxylic acid

Systemtic Name: 3-chloranyl-6-(methylaminomethyl)-5,6-dihydrobenzo[b][1]benzoxepine-5-carboxylic acid Openeye Name: 3-chloro-6-(methylaminomethyl)-5,6-dihydrobenzo[b][1]benzoxepine-5-carboxylic acid CAS Name: 3-chloro-6-(methylaminomethyl)-5,6-dihydrobenzo[b][1]benzoxepin-5-carboxylic acid IUPAC Name: 3-chloro-6-(methylaminomethyl)-5,6-dihydrobenzo[b][1]benzoxepine-5-carboxylic acid Traditional Name: 3-chloro-6-(methylaminomethyl)-5,6-dihydrobenzo[b][1]benzoxepin-5-carboxylic acid Formula: C17H16ClNO3 MolecularWeight: 317.76684

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1C(C2=C(C=CC(=C2)Cl)OC3=CC=CC=C13)C(=O)O

Isomeric SMILES

CNCC1C(C2=C(C=CC(=C2)Cl)OC3=CC=CC=C13)C(=O)O

InChI

InChI=1S/C17H16ClNO3/c1-19-9-13-11-4-2-3-5-14(11)22-15-7-6-10(18)8-12(15)16(13)17(20)21/h2-8,13,16,19H,9H2,1H3,(H,20,21)