methyl (2S)-1-[3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=C(C=C2)OC)CCC(=O)N3CCCC3C(=O)OC

Isomeric SMILES

C[C@H]1CN(CC2=C(O1)C=C(C=C2)OC)CCC(=O)N3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C20H28N2O5/c1-14-12-21(13-15-6-7-16(25-2)11-18(15)27-14)10-8-19(23)22-9-4-5-17(22)20(24)26-3/h6-7,11,14,17H,4-5,8-10,12-13H2,1-3H3/t14-,17-/m0/s1