3-(11-carboxy-9-chloranyl-6H-benzo[c][1]benzoxepin-11-yl)-N-methyl-N-propyl-propan-1-amine oxide

Systemtic Name: 3-(11-carboxy-9-chloranyl-6H-benzo[c][1]benzoxepin-11-yl)-N-methyl-N-propyl-propan-1-amine oxide Openeye Name: 3-(11-carboxy-9-chloro-6H-benzo[c][1]benzoxepin-11-yl)-N-methyl-N-propyl-propan-1-amine oxide CAS Name: 3-(11-carboxy-9-chloro-6H-benzo[c][1]benzoxepin-11-yl)-N-methyl-N-propyl-1-propanamine oxide IUPAC Name: 3-(11-carboxy-9-chloro-6H-benzo[c][1]benzoxepin-11-yl)-N-methyl-N-propylpropan-1-amine oxide Traditional Name: 3-(11-carboxy-9-chloro-6H-benzo[c][1]benzoxepin-11-yl)-N-methyl-N-propyl-propan-1-amine oxide Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(CCCC1(C2=CC=CC=C2OCC3=C1C=C(C=C3)Cl)C(=O)O)[O-]

Isomeric SMILES

CCC[N+](C)(CCCC1(C2=CC=CC=C2OCC3=C1C=C(C=C3)Cl)C(=O)O)[O-]

InChI

InChI=1S/C22H26ClNO4/c1-3-12-24(2,27)13-6-11-22(21(25)26)18-7-4-5-8-20(18)28-15-16-9-10-17(23)14-19(16)22/h4-5,7-10,14H,3,6,11-13,15H2,1-2H3,(H,25,26)