ethyl (3R)-1-[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[2-[4-(diethylcarbamoyl)anilino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3R)-1-[2-[4-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[2-[4-(diethylcarbamoyl)anilino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CN2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CN2CCC[C@H](C2)C(=O)OCC

InChI

InChI=1S/C21H31N3O4/c1-4-24(5-2)20(26)16-9-11-18(12-10-16)22-19(25)15-23-13-7-8-17(14-23)21(27)28-6-3/h9-12,17H,4-8,13-15H2,1-3H3,(H,22,25)/t17-/m1/s1