propan-2-yl 2-methyl-2-[11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoate

Systemtic Name: propan-2-yl 2-methyl-2-[11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoate Openeye Name: isopropyl 2-methyl-2-[11-(3-pyridylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoate CAS Name: 2-methyl-2-[11-(3-pyridinylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methyl-2-[11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoate Traditional Name: 2-methyl-2-[11-(3-pyridylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propionic acid isopropyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C)(C)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NC4=CN=CC=C4

Isomeric SMILES

CC(C)OC(=O)C(C)(C)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NC4=CN=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-17(2)31-25(29)26(3,4)19-11-12-23-22(14-19)24(28-20-9-7-13-27-15-20)21-10-6-5-8-18(21)16-30-23/h5-15,17,24,28H,16H2,1-4H3