3-[3-ethyl-2-oxidanylidene-5-phenyl-1-(phenylmethyl)-5H-4,1-benzoxazepin-3-yl]propanoate

Systemtic Name: 3-[3-ethyl-2-oxidanylidene-5-phenyl-1-(phenylmethyl)-5H-4,1-benzoxazepin-3-yl]propanoate Openeye Name: 3-(1-benzyl-3-ethyl-2-oxo-5-phenyl-5H-4,1-benzoxazepin-3-yl)propanoate CAS Name: 3-[3-ethyl-2-oxo-5-phenyl-1-(phenylmethyl)-5H-4,1-benzoxazepin-3-yl]propanoate IUPAC Name: 3-(1-benzyl-3-ethyl-2-oxo-5-phenyl-5H-4,1-benzoxazepin-3-yl)propanoate Traditional Name: 3-(1-benzyl-3-ethyl-2-keto-5-phenyl-5H-4,1-benzoxazepin-3-yl)propionate Formula: C27H26NO4- MolecularWeight: 428.49964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N(C2=CC=CC=C2C(O1)C3=CC=CC=C3)CC4=CC=CC=C4)CCC(=O)[O-]

Isomeric SMILES

CCC1(C(=O)N(C2=CC=CC=C2C(O1)C3=CC=CC=C3)CC4=CC=CC=C4)CCC(=O)[O-]

InChI

InChI=1S/C27H27NO4/c1-2-27(18-17-24(29)30)26(31)28(19-20-11-5-3-6-12-20)23-16-10-9-15-22(23)25(32-27)21-13-7-4-8-14-21/h3-16,25H,2,17-19H2,1H3,(H,29,30)/p-1