3-[3-(butylcarbamoyl)-5-oxidanylidene-2-phenyl-1H-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-[3-(butylcarbamoyl)-5-oxidanylidene-2-phenyl-1H-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[3-(butylcarbamoyl)-5-oxo-2-phenyl-1H-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[3-[butylamino(oxo)methyl]-5-oxo-2-phenyl-1H-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[3-(butylcarbamoyl)-5-oxo-2-phenyl-1H-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[3-(butylcarbamoyl)-5-keto-2-phenyl-1H-1,4-benzodiazepin-4-yl]propionic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(NC2=CC=CC=C2C(=O)N1CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=C(NC2=CC=CC=C2C(=O)N1CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4/c1-2-3-14-24-22(29)21-20(16-9-5-4-6-10-16)25-18-12-8-7-11-17(18)23(30)26(21)15-13-19(27)28/h4-12,25H,2-3,13-15H2,1H3,(H,24,29)(H,27,28)