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

Systemtic Name: 3-[5-(3-hydroxyphenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanoic acid Openeye Name: 3-[5-(3-hydroxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid CAS Name: 3-[5-(3-hydroxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid IUPAC Name: 3-[5-(3-hydroxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid Traditional Name: 3-[5-(3-hydroxyphenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]propionic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)CCC(=O)O)C3=CC(=CC=C3)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)CCC(=O)O)C3=CC(=CC=C3)O

InChI

InChI=1S/C19H18N2O4/c1-21-16-8-3-2-7-14(16)18(12-5-4-6-13(22)11-12)20-15(19(21)25)9-10-17(23)24/h2-8,11,15,22H,9-10H2,1H3,(H,23,24)