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

Systemtic Name: methyl (2S)-1-[[4-(1-phenethylpiperidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[[4-(1-phenethyl-4-piperidyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[4-(1-phenethyl-4-piperidinyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[4-(1-phenethylpiperidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[[4-(1-phenethyl-4-piperidyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1CC2=CC3=C(C=C2)OCCN(C3)C4CCN(CC4)CCC5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@@H]1CCCN1CC2=CC3=C(C=C2)OCCN(C3)C4CCN(CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H39N3O3/c1-34-29(33)27-8-5-14-32(27)21-24-9-10-28-25(20-24)22-31(18-19-35-28)26-12-16-30(17-13-26)15-11-23-6-3-2-4-7-23/h2-4,6-7,9-10,20,26-27H,5,8,11-19,21-22H2,1H3/t27-/m0/s1