4-[1-methyl-2-oxidanylidene-7,8-di(propan-2-yl)-3H-1,4-benzodiazepin-5-yl]benzoic acid

Systemtic Name: 4-[1-methyl-2-oxidanylidene-7,8-di(propan-2-yl)-3H-1,4-benzodiazepin-5-yl]benzoic acid Openeye Name: 4-(7,8-diisopropyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzoic acid CAS Name: 4-[1-methyl-2-oxo-7,8-di(propan-2-yl)-3H-1,4-benzodiazepin-5-yl]benzoic acid IUPAC Name: 4-[1-methyl-2-oxo-7,8-di(propan-2-yl)-3H-1,4-benzodiazepin-5-yl]benzoic acid Traditional Name: 4-(7,8-diisopropyl-2-keto-1-methyl-3H-1,4-benzodiazepin-5-yl)benzoic acid Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)C(=NCC(=O)N2C)C3=CC=C(C=C3)C(=O)O)C(C)C

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)C(=NCC(=O)N2C)C3=CC=C(C=C3)C(=O)O)C(C)C

InChI

InChI=1S/C23H26N2O3/c1-13(2)17-10-19-20(11-18(17)14(3)4)25(5)21(26)12-24-22(19)15-6-8-16(9-7-15)23(27)28/h6-11,13-14H,12H2,1-5H3,(H,27,28)