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

Systemtic Name: methyl 2-methyl-2-[11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3/c1-24(2,23(27)28-3)17-10-11-21-20(13-17)22(26-18-8-6-12-25-14-18)19-9-5-4-7-16(19)15-29-21/h4-14,22,26H,15H2,1-3H3