methyl (2S)-1-[[4-(2-ethylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[[4-(2-ethylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[[4-(2-ethylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[4-(2-ethylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[4-(2-ethylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[[4-(2-ethylbutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H34N2O3 MolecularWeight: 374.51696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CN1CCOC2=C(C1)C=C(C=C2)CN3CCCC3C(=O)OC

Isomeric SMILES

CCC(CC)CN1CCOC2=C(C1)C=C(C=C2)CN3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C22H34N2O3/c1-4-17(5-2)14-23-11-12-27-21-9-8-18(13-19(21)16-23)15-24-10-6-7-20(24)22(25)26-3/h8-9,13,17,20H,4-7,10-12,14-16H2,1-3H3/t20-/m0/s1