3-[[(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methyl-amino]propanoate

Systemtic Name: 3-[[(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methyl-amino]propanoate Openeye Name: 3-[[(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methyl-amino]propanoate CAS Name: 3-[[(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]propanoate IUPAC Name: 3-[[(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]propanoate Traditional Name: 3-[[(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methyl-amino]propionate Formula: C21H22NO3- MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC=C1C2=CC=CC=C2COC3=CC=CC=C31)CCC(=O)[O-]

Isomeric SMILES

CN(CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C31)CCC(=O)[O-]

InChI

InChI=1S/C21H23NO3/c1-22(14-12-21(23)24)13-6-10-18-17-8-3-2-7-16(17)15-25-20-11-5-4-9-19(18)20/h2-5,7-11H,6,12-15H2,1H3,(H,23,24)/p-1/b18-10+