ethyl (3R)-1-[3-(2-ethylbutanoylamino)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[3-(2-ethylbutanoylamino)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[3-(2-ethylbutanoylamino)benzoyl]piperidine-3-carboxylate CAS Name: (3R)-1-[[3-[(2-ethyl-1-oxobutyl)amino]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-(2-ethylbutanoylamino)benzoyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[3-(2-ethylbutanoylamino)benzoyl]nipecotic acid ethyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)N2CCC[C@H](C2)C(=O)OCC

InChI

InChI=1S/C21H30N2O4/c1-4-15(5-2)19(24)22-18-11-7-9-16(13-18)20(25)23-12-8-10-17(14-23)21(26)27-6-3/h7,9,11,13,15,17H,4-6,8,10,12,14H2,1-3H3,(H,22,24)/t17-/m1/s1