ethyl (3S,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)azepane-4-carboxylate

Systemtic Name: ethyl (3S,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)azepane-4-carboxylate Openeye Name: ethyl (3S,4S)-1-benzyl-3-(tert-butoxycarbonylamino)azepane-4-carboxylate CAS Name: (3S,4S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(phenylmethyl)-4-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S)-1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-4-carboxylate Traditional Name: (3S,4S)-1-benzyl-3-(tert-butoxycarbonylamino)azepane-4-carboxylic acid ethyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(CC1NC(=O)OC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C[C@H]1NC(=O)OC(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C21H32N2O4/c1-5-26-19(24)17-12-9-13-23(14-16-10-7-6-8-11-16)15-18(17)22-20(25)27-21(2,3)4/h6-8,10-11,17-18H,5,9,12-15H2,1-4H3,(H,22,25)/t17-,18+/m0/s1