4-(2-methyl-2,4-diphenyl-1H-1,5-benzodiazepin-5-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-methyl-2,4-diphenyl-1H-1,5-benzodiazepin-5-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methyl-2,4-diphenyl-1H-1,5-benzodiazepin-5-yl)-4-oxo-butanoic acid CAS Name: 4-(2-methyl-2,4-diphenyl-1H-1,5-benzodiazepin-5-yl)-4-oxobutanoic acid IUPAC Name: 4-(2-methyl-2,4-diphenyl-1H-1,5-benzodiazepin-5-yl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(2-methyl-2,4-diphenyl-1H-1,5-benzodiazepin-5-yl)butyric acid Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(N(C2=CC=CC=C2N1)C(=O)CCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1(C=C(N(C2=CC=CC=C2N1)C(=O)CCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3/c1-26(20-12-6-3-7-13-20)18-23(19-10-4-2-5-11-19)28(24(29)16-17-25(30)31)22-15-9-8-14-21(22)27-26/h2-15,18,27H,16-17H2,1H3,(H,30,31)