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

Systemtic Name: 2-methyl-2-[11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoic acid Openeye Name: 2-methyl-2-[11-(3-pyridylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoic acid CAS Name: 2-methyl-2-[11-(3-pyridinylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoic acid IUPAC Name: 2-methyl-2-[11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoic acid Traditional Name: 2-methyl-2-[11-(3-pyridylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propionic acid Formula: C23H22N2O3 MolecularWeight: 374.43238

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3/c1-23(2,22(26)27)16-9-10-20-19(12-16)21(25-17-7-5-11-24-13-17)18-8-4-3-6-15(18)14-28-20/h3-13,21,25H,14H2,1-2H3,(H,26,27)