methyl 1-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetyl]isonipecotic acid methyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=CC(=C2)OC)CC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC[C@H]1CN(CC2=C(O1)C=CC(=C2)OC)CC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H30N2O5/c1-4-17-13-22(12-16-11-18(26-2)5-6-19(16)28-17)14-20(24)23-9-7-15(8-10-23)21(25)27-3/h5-6,11,15,17H,4,7-10,12-14H2,1-3H3/t17-/m0/s1