2-(2-oxidanylidene-5-phenyl-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-7-yl)propanoic acid

Systemtic Name: 2-(2-oxidanylidene-5-phenyl-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-7-yl)propanoic acid Openeye Name: 2-(3-isopropyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-7-yl)propanoic acid CAS Name: 2-(2-oxo-5-phenyl-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-7-yl)propanoic acid IUPAC Name: 2-(2-oxo-5-phenyl-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-7-yl)propanoic acid Traditional Name: 2-(3-isopropyl-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-7-yl)propionic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=C(C=C(C=C2)C(C)C(=O)O)C(=N1)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1C(=O)NC2=C(C=C(C=C2)C(C)C(=O)O)C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-12(2)18-20(24)22-17-10-9-15(13(3)21(25)26)11-16(17)19(23-18)14-7-5-4-6-8-14/h4-13,18H,1-3H3,(H,22,24)(H,25,26)