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

Systemtic Name: methyl (2S)-1-[[4-(phenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[4-(phenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1CCCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N2O3/c1-27-23(26)21-8-5-11-25(21)16-19-9-10-22-20(14-19)17-24(12-13-28-22)15-18-6-3-2-4-7-18/h2-4,6-7,9-10,14,21H,5,8,11-13,15-17H2,1H3/t21-/m0/s1