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

Systemtic Name: methyl 2-[(11E)-11-(3-azanylpropylidene)-6H-benzo[c][1]benzoxepin-2-yl]ethanoate Openeye Name: methyl 2-[(11E)-11-(3-aminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetate CAS Name: 2-[(11E)-11-(3-aminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(11E)-11-(3-aminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetate Traditional Name: 2-[(11E)-11-(3-aminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid methyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCCN

Isomeric SMILES

COC(=O)CC1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CCN

InChI

InChI=1S/C20H21NO3/c1-23-20(22)12-14-8-9-19-18(11-14)17(7-4-10-21)16-6-3-2-5-15(16)13-24-19/h2-3,5-9,11H,4,10,12-13,21H2,1H3/b17-7+