2-[2-(1H-benzimidazol-2-yl)-1-ethoxy-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[2-(1H-benzimidazol-2-yl)-1-ethoxy-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[2-(1H-benzimidazol-2-yl)-1-ethoxy-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[2-(1H-benzimidazol-2-yl)-1-ethoxy-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[2-(1H-benzimidazol-2-yl)-1-ethoxy-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[2-(1H-benzimidazol-2-yl)-1-ethoxy-3-keto-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C2=CC=CC=C2CC(C(=O)N1C3=NC4=CC=CC=C4N3)CC(=O)O

Isomeric SMILES

CCOC1C2=CC=CC=C2CC(C(=O)N1C3=NC4=CC=CC=C4N3)CC(=O)O

InChI

InChI=1S/C21H21N3O4/c1-2-28-20-15-8-4-3-7-13(15)11-14(12-18(25)26)19(27)24(20)21-22-16-9-5-6-10-17(16)23-21/h3-10,14,20H,2,11-12H2,1H3,(H,22,23)(H,25,26)