4-(1H-benzimidazol-2-ylmethyl)-9-ethoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-(1H-benzimidazol-2-ylmethyl)-9-ethoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-(1H-benzimidazol-2-ylmethyl)-9-ethoxy-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-(1H-benzimidazol-2-ylmethyl)-9-ethoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-(1H-benzimidazol-2-ylmethyl)-9-ethoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(1H-benzimidazol-2-ylmethyl)-9-ethoxy-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(C(=O)N(C2C(=O)O)CC3=NC4=CC=CC=C4N3)C(C)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(C(=O)N(C2C(=O)O)CC3=NC4=CC=CC=C4N3)C(C)C

InChI

InChI=1S/C23H25N3O5/c1-4-30-17-11-7-8-14-19(23(28)29)26(22(27)20(13(2)3)31-21(14)17)12-18-24-15-9-5-6-10-16(15)25-18/h5-11,13,19-20H,4,12H2,1-3H3,(H,24,25)(H,28,29)