2-[9-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-6H-benzo[b][1,4]benzoxazepin-5-yl]ethanoic acid

Systemtic Name: 2-[9-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-6H-benzo[b][1,4]benzoxazepin-5-yl]ethanoic acid Openeye Name: 2-[9-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-6H-benzo[b][1,4]benzoxazepin-5-yl]acetic acid CAS Name: 2-[9-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-6H-benzo[b][1,4]benzoxazepin-5-yl]acetic acid IUPAC Name: 2-[9-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-6H-benzo[b][1,4]benzoxazepin-5-yl]acetic acid Traditional Name: 2-[9-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-6H-benzo[b][1,4]benzoxazepin-5-yl]acetic acid Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NC1)N=C(C=C2)CCOC3=CC4=C(CN(C5=CC=CC=C5O4)CC(=O)O)C=C3

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)CCOC3=CC4=C(CN(C5=CC=CC=C5O4)CC(=O)O)C=C3

InChI

InChI=1S/C25H25N3O4/c29-24(30)16-28-15-18-8-10-20(14-23(18)32-22-6-2-1-5-21(22)28)31-13-11-19-9-7-17-4-3-12-26-25(17)27-19/h1-2,5-10,14H,3-4,11-13,15-16H2,(H,26,27)(H,29,30)