methyl 11-(2-azanylpropylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-(2-azanylpropylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-(2-aminopropylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(2-aminopropylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-(2-aminopropylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(2-aminopropylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC)N

Isomeric SMILES

CC(CNC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC)N

InChI

InChI=1S/C19H22N2O3/c1-12(20)10-21-18-15-6-4-3-5-14(15)11-24-17-8-7-13(9-16(17)18)19(22)23-2/h3-9,12,18,21H,10-11,20H2,1-2H3