4-(3-tert-butyl-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid

Systemtic Name: 4-(3-tert-butyl-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid Openeye Name: 4-(3-tert-butyl-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid CAS Name: 4-(3-tert-butyl-11-methyl-6-benzo[b][1,4]benzodiazepinyl)benzoic acid IUPAC Name: 4-(3-tert-butyl-11-methylbenzo[b][1,4]benzodiazepin-6-yl)benzoic acid Traditional Name: 4-(3-tert-butyl-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid Formula: C25H24N2O2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N(C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N(C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C25H24N2O2/c1-25(2,3)18-13-14-22-20(15-18)26-23(16-9-11-17(12-10-16)24(28)29)19-7-5-6-8-21(19)27(22)4/h5-15H,1-4H3,(H,28,29)