4-[2-oxidanylidene-3,7,8-tri(propan-2-yl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid

Systemtic Name: 4-[2-oxidanylidene-3,7,8-tri(propan-2-yl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid Openeye Name: 4-(3,7,8-triisopropyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid CAS Name: 4-[2-oxo-3,7,8-tri(propan-2-yl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid IUPAC Name: 4-[2-oxo-3,7,8-tri(propan-2-yl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid Traditional Name: 4-(3,7,8-triisopropyl-2-keto-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)C(=O)O)C(C)C)C(C)C

Isomeric SMILES

CC(C)C1C(=O)NC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)C(=O)O)C(C)C)C(C)C

InChI

InChI=1S/C25H30N2O3/c1-13(2)18-11-20-21(12-19(18)14(3)4)26-24(28)22(15(5)6)27-23(20)16-7-9-17(10-8-16)25(29)30/h7-15,22H,1-6H3,(H,26,28)(H,29,30)