methyl 1-[[4-(2,2-diethylcyclopropyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[4-(2,2-diethylcyclopropyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-(2,2-diethylcyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(2,2-diethylcyclopropyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(2,2-diethylcyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(2,2-diethylcyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]isonipecotic acid methyl ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC1C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)C(=O)OC)CC

Isomeric SMILES

CCC1(CC1C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)C(=O)OC)CC

InChI

InChI=1S/C25H36N2O4/c1-4-25(5-2)15-21(25)23(28)27-12-13-31-22-7-6-18(14-20(22)17-27)16-26-10-8-19(9-11-26)24(29)30-3/h6-7,14,19,21H,4-5,8-13,15-17H2,1-3H3