ethyl 5-azanyl-2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 5-azanyl-2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylate Openeye Name: ethyl 5-amino-2-[3-(benzyloxycarbonylamino)-2-oxo-pyrrolidin-1-yl]cyclohexanecarboxylate CAS Name: 5-amino-2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylate Traditional Name: 5-amino-2-[3-(benzyloxycarbonylamino)-2-keto-pyrrolidino]cyclohexanecarboxylic acid ethyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CCC1N2CCC(C2=O)NC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1CC(CCC1N2CCC(C2=O)NC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C21H29N3O5/c1-2-28-20(26)16-12-15(22)8-9-18(16)24-11-10-17(19(24)25)23-21(27)29-13-14-6-4-3-5-7-14/h3-7,15-18H,2,8-13,22H2,1H3,(H,23,27)