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

Systemtic Name: methyl 4-(3-tert-butyl-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoate Openeye Name: methyl 4-(3-tert-butyl-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoate CAS Name: 4-(3-tert-butyl-11-methyl-6-benzo[b][1,4]benzodiazepinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-tert-butyl-11-methylbenzo[b][1,4]benzodiazepin-6-yl)benzoate Traditional Name: 4-(3-tert-butyl-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid methyl ester Formula: C26H26N2O2 MolecularWeight: 398.49684

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O2/c1-26(2,3)19-14-15-23-21(16-19)27-24(20-8-6-7-9-22(20)28(23)4)17-10-12-18(13-11-17)25(29)30-5/h6-16H,1-5H3