methyl 1-[(5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl)carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl)carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(5-oxo-1-phenethyl-pyrrolidine-3-carbonyl)amino]cyclohexanecarboxylate CAS Name: 1-[[oxo-(5-oxo-1-phenethyl-3-pyrrolidinyl)methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-oxo-1-phenethylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylate Traditional Name: 1-[(5-keto-1-phenethyl-pyrrolidine-3-carbonyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O4/c1-27-20(26)21(11-6-3-7-12-21)22-19(25)17-14-18(24)23(15-17)13-10-16-8-4-2-5-9-16/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H,22,25)