2-[2-[3-[(4-methylpyridin-2-yl)amino]propoxy]-5,6-dihydrobenzo[b][1]benzoxepin-6-yl]ethanoate

Systemtic Name: 2-[2-[3-[(4-methylpyridin-2-yl)amino]propoxy]-5,6-dihydrobenzo[b][1]benzoxepin-6-yl]ethanoate Openeye Name: 2-[2-[3-[(4-methyl-2-pyridyl)amino]propoxy]-5,6-dihydrobenzo[b][1]benzoxepin-6-yl]acetate CAS Name: 2-[2-[3-[(4-methyl-2-pyridinyl)amino]propoxy]-5,6-dihydrobenzo[b][1]benzoxepin-6-yl]acetate IUPAC Name: 2-[2-[3-[(4-methylpyridin-2-yl)amino]propoxy]-5,6-dihydrobenzo[b][1]benzoxepin-6-yl]acetate Traditional Name: 2-[2-[3-[(4-methyl-2-pyridyl)amino]propoxy]-5,6-dihydrobenzo[b][1]benzoxepin-6-yl]acetate Formula: C25H25N2O4- MolecularWeight: 417.477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCCCOC2=CC3=C(CC(C4=CC=CC=C4O3)CC(=O)[O-])C=C2

Isomeric SMILES

CC1=CC(=NC=C1)NCCCOC2=CC3=C(CC(C4=CC=CC=C4O3)CC(=O)[O-])C=C2

InChI

InChI=1S/C25H26N2O4/c1-17-9-11-27-24(13-17)26-10-4-12-30-20-8-7-18-14-19(15-25(28)29)21-5-2-3-6-22(21)31-23(18)16-20/h2-3,5-9,11,13,16,19H,4,10,12,14-15H2,1H3,(H,26,27)(H,28,29)/p-1