2-[3-(naphthalen-1-ylmethoxy)-6-oxidanylidene-11H-benzo[b][1,4]benzodiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[3-(naphthalen-1-ylmethoxy)-6-oxidanylidene-11H-benzo[b][1,4]benzodiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-(1-naphthylmethoxy)-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl]acetic acid CAS Name: 2-[3-(1-naphthalenylmethoxy)-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl]acetic acid IUPAC Name: 2-[3-(naphthalen-1-ylmethoxy)-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl]acetic acid Traditional Name: 2-[6-keto-3-(1-naphthylmethoxy)-11H-benzo[b][1,4]benzodiazepin-5-yl]acetic acid Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC3=CC4=C(C=C3)NC5=CC=CC=C5C(=O)N4CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC3=CC4=C(C=C3)NC5=CC=CC=C5C(=O)N4CC(=O)O

InChI

InChI=1S/C26H20N2O4/c29-25(30)15-28-24-14-19(32-16-18-8-5-7-17-6-1-2-9-20(17)18)12-13-23(24)27-22-11-4-3-10-21(22)26(28)31/h1-14,27H,15-16H2,(H,29,30)