2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]benzoic acid

Systemtic Name: 2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]benzoic acid Openeye Name: 2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]benzoic acid CAS Name: 2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]benzoic acid IUPAC Name: 2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]benzoic acid Traditional Name: 2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]benzoic acid Formula: C19H18N2O2 MolecularWeight: 306.35842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18N2O2/c1-21-13-12-20-17(16-8-4-5-9-18(16)21)11-10-14-6-2-3-7-15(14)19(22)23/h2-11H,12-13H2,1H3,(H,22,23)/b11-10+