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

Systemtic Name: 2-(6-oxidanylidene-3-phenylmethoxy-11H-benzo[b][1,4]benzodiazepin-5-yl)ethanoic acid Openeye Name: 2-(3-benzyloxy-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)acetic acid CAS Name: 2-(6-oxo-3-phenylmethoxy-11H-benzo[b][1,4]benzodiazepin-5-yl)acetic acid IUPAC Name: 2-(6-oxo-3-phenylmethoxy-11H-benzo[b][1,4]benzodiazepin-5-yl)acetic acid Traditional Name: 2-(3-benzoxy-6-keto-11H-benzo[b][1,4]benzodiazepin-5-yl)acetic acid Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3CC(=O)O

InChI

InChI=1S/C22H18N2O4/c25-21(26)13-24-20-12-16(28-14-15-6-2-1-3-7-15)10-11-19(20)23-18-9-5-4-8-17(18)22(24)27/h1-12,23H,13-14H2,(H,25,26)