2-[9-[3-(pyridin-2-ylamino)propoxy]-6H-benzo[b][1,4]benzoxazepin-5-yl]ethanoic acid

Systemtic Name: 2-[9-[3-(pyridin-2-ylamino)propoxy]-6H-benzo[b][1,4]benzoxazepin-5-yl]ethanoic acid Openeye Name: 2-[9-[3-(2-pyridylamino)propoxy]-6H-benzo[b][1,4]benzoxazepin-5-yl]acetic acid CAS Name: 2-[9-[3-(2-pyridinylamino)propoxy]-6H-benzo[b][1,4]benzoxazepin-5-yl]acetic acid IUPAC Name: 2-[9-[3-(pyridin-2-ylamino)propoxy]-6H-benzo[b][1,4]benzoxazepin-5-yl]acetic acid Traditional Name: 2-[9-[3-(2-pyridylamino)propoxy]-6H-benzo[b][1,4]benzoxazepin-5-yl]acetic acid Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)OCCCNC3=CC=CC=N3)OC4=CC=CC=C4N1CC(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)OCCCNC3=CC=CC=N3)OC4=CC=CC=C4N1CC(=O)O

InChI

InChI=1S/C23H23N3O4/c27-23(28)16-26-15-17-9-10-18(14-21(17)30-20-7-2-1-6-19(20)26)29-13-5-12-25-22-8-3-4-11-24-22/h1-4,6-11,14H,5,12-13,15-16H2,(H,24,25)(H,27,28)