2-[(11E)-11-(3-azanylpropylidene)-6H-benzo[c][1]benzoxepin-2-yl]ethanoic acid

Systemtic Name: 2-[(11E)-11-(3-azanylpropylidene)-6H-benzo[c][1]benzoxepin-2-yl]ethanoic acid Openeye Name: 2-[(11E)-11-(3-aminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid CAS Name: 2-[(11E)-11-(3-aminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid IUPAC Name: 2-[(11E)-11-(3-aminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid Traditional Name: 2-[(11E)-11-(3-aminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid Formula: C19H19NO3 MolecularWeight: 309.35906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CCCN)C3=C(O1)C=CC(=C3)CC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\CCN)/C3=C(O1)C=CC(=C3)CC(=O)O

InChI

InChI=1S/C19H19NO3/c20-9-3-6-16-15-5-2-1-4-14(15)12-23-18-8-7-13(10-17(16)18)11-19(21)22/h1-2,4-8,10H,3,9,11-12,20H2,(H,21,22)/b16-6+