3-[1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-[1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[1-(2-chloro-4-pyrrolidin-1-yl-benzoyl)-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[1-[[2-chloro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[1-(2-chloro-4-pyrrolidino-benzoyl)-3-keto-2,5-dihydro-1,4-benzodiazepin-4-yl]propionic acid Formula: C23H24ClN3O4 MolecularWeight: 441.90736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)C(=O)N3CC(=O)N(CC4=CC=CC=C43)CCC(=O)O)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)C(=O)N3CC(=O)N(CC4=CC=CC=C43)CCC(=O)O)Cl

InChI

InChI=1S/C23H24ClN3O4/c24-19-13-17(25-10-3-4-11-25)7-8-18(19)23(31)27-15-21(28)26(12-9-22(29)30)14-16-5-1-2-6-20(16)27/h1-2,5-8,13H,3-4,9-12,14-15H2,(H,29,30)