4-(11-methylbenzo[b][1,4]benzodiazepin-6-yl)benzoic acid

Systemtic Name: 4-(11-methylbenzo[b][1,4]benzodiazepin-6-yl)benzoic acid Openeye Name: 4-(11-methylbenzo[b][1,4]benzodiazepin-6-yl)benzoic acid CAS Name: 4-(11-methyl-6-benzo[b][1,4]benzodiazepinyl)benzoic acid IUPAC Name: 4-(11-methylbenzo[b][1,4]benzodiazepin-6-yl)benzoic acid Traditional Name: 4-(11-methylbenzo[b][1,4]benzodiazepin-6-yl)benzoic acid Formula: C21H16N2O2 MolecularWeight: 328.36394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N2O2/c1-23-18-8-4-2-6-16(18)20(22-17-7-3-5-9-19(17)23)14-10-12-15(13-11-14)21(24)25/h2-13H,1H3,(H,24,25)