2-[4-(1-ethanoyl-2-phenyl-2,3-dihydro-1,5-benzodiazepin-4-yl)phenoxy]ethanoic acid

Systemtic Name: 2-[4-(1-ethanoyl-2-phenyl-2,3-dihydro-1,5-benzodiazepin-4-yl)phenoxy]ethanoic acid Openeye Name: 2-[4-(1-acetyl-2-phenyl-2,3-dihydro-1,5-benzodiazepin-4-yl)phenoxy]acetic acid CAS Name: 2-[4-(1-acetyl-2-phenyl-2,3-dihydro-1,5-benzodiazepin-4-yl)phenoxy]acetic acid IUPAC Name: 2-[4-(1-acetyl-2-phenyl-2,3-dihydro-1,5-benzodiazepin-4-yl)phenoxy]acetic acid Traditional Name: 2-[4-(1-acetyl-2-phenyl-2,3-dihydro-1,5-benzodiazepin-4-yl)phenoxy]acetic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C(CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4/c1-17(28)27-23-10-6-5-9-21(23)26-22(15-24(27)19-7-3-2-4-8-19)18-11-13-20(14-12-18)31-16-25(29)30/h2-14,24H,15-16H2,1H3,(H,29,30)