2-[7-tert-butyl-3-(4-chlorophenyl)-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[7-tert-butyl-3-(4-chlorophenyl)-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[7-tert-butyl-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[7-tert-butyl-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-[7-tert-butyl-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid Traditional Name: 2-[7-tert-butyl-3-(4-chlorophenyl)-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C27H25ClN2O4 MolecularWeight: 476.9514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC(=O)C(N(C2=O)C(C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC(=O)C(N(C2=O)C(C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H25ClN2O4/c1-27(2,3)18-11-14-21-20(15-18)25(32)30(23(26(33)34)16-7-5-4-6-8-16)22(24(31)29-21)17-9-12-19(28)13-10-17/h4-15,22-23H,1-3H3,(H,29,31)(H,33,34)