1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]pyrrolidine-2-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]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-(1-naphthyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]pyrrolidine-2-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]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-naphthalen-1-yl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[2-keto-7-methoxy-5-(1-naphthyl)-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetyl]proline Formula: C32H36N2O6 MolecularWeight: 544.63804

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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)N3CCCC3C(=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)N3CCCC3C(=O)O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C32H36N2O6/c1-32(2,3)19-34-25-15-14-21(39-4)17-24(25)29(23-12-7-10-20-9-5-6-11-22(20)23)40-27(30(34)36)18-28(35)33-16-8-13-26(33)31(37)38/h5-7,9-12,14-15,17,26-27,29H,8,13,16,18-19H2,1-4H3,(H,37,38)