1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-(1-naphthyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-naphthalen-1-yl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[2-keto-7-methoxy-5-(1-naphthyl)-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetyl]nipecotic acid Formula: C33H38N2O6 MolecularWeight: 558.66462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C=C(C=C2)OC)C(OC(C1=O)CC(=O)N3CCCC(C3)C(=O)O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)CN1C2=C(C=C(C=C2)OC)C(OC(C1=O)CC(=O)N3CCCC(C3)C(=O)O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C33H38N2O6/c1-33(2,3)20-35-27-15-14-23(40-4)17-26(27)30(25-13-7-10-21-9-5-6-12-24(21)25)41-28(31(35)37)18-29(36)34-16-8-11-22(19-34)32(38)39/h5-7,9-10,12-15,17,22,28,30H,8,11,16,18-20H2,1-4H3,(H,38,39)