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

Systemtic Name: 2-[3-(1H-indol-3-ylmethyl)-6-oxidanylidene-11H-benzo[b][1,4]benzodiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-(1H-indol-3-ylmethyl)-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl]acetic acid CAS Name: 2-[3-(1H-indol-3-ylmethyl)-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl]acetic acid IUPAC Name: 2-[3-(1H-indol-3-ylmethyl)-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl]acetic acid Traditional Name: 2-[3-(1H-indol-3-ylmethyl)-6-keto-11H-benzo[b][1,4]benzodiazepin-5-yl]acetic acid Formula: C24H19N3O3 MolecularWeight: 397.42596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3=CC4=C(C=C3)NC5=CC=CC=C5C(=O)N4CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3=CC4=C(C=C3)NC5=CC=CC=C5C(=O)N4CC(=O)O

InChI

InChI=1S/C24H19N3O3/c28-23(29)14-27-22-12-15(11-16-13-25-19-7-3-1-5-17(16)19)9-10-21(22)26-20-8-4-2-6-18(20)24(27)30/h1-10,12-13,25-26H,11,14H2,(H,28,29)