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

Systemtic Name: 3-[1-ethyl-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanoic acid Openeye Name: 3-[1-ethyl-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid CAS Name: 3-[1-ethyl-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid IUPAC Name: 3-[1-ethyl-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid Traditional Name: 3-[1-ethyl-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-3-yl]propionic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=NC(C1=O)CCC(=O)O)C3=CC(=CC=C3)O

Isomeric SMILES

CCN1C2=CC=CC=C2C(=NC(C1=O)CCC(=O)O)C3=CC(=CC=C3)O

InChI

InChI=1S/C20H20N2O4/c1-2-22-17-9-4-3-8-15(17)19(13-6-5-7-14(23)12-13)21-16(20(22)26)10-11-18(24)25/h3-9,12,16,23H,2,10-11H2,1H3,(H,24,25)