ethyl (3R)-1-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-benzyl-1-[(3-ethoxy-3-oxo-propyl)carbamoyl]piperidine-3-carboxylate CAS Name: (3R)-1-[[(3-ethoxy-3-oxopropyl)amino]-oxomethyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-benzyl-1-[(3-ethoxy-3-oxopropyl)carbamoyl]piperidine-3-carboxylate Traditional Name: (3R)-3-benzyl-1-[(3-ethoxy-3-keto-propyl)carbamoyl]nipecotic acid ethyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)N1CCCC(C1)(CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCNC(=O)N1CCC[C@](C1)(CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H30N2O5/c1-3-27-18(24)11-13-22-20(26)23-14-8-12-21(16-23,19(25)28-4-2)15-17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16H2,1-2H3,(H,22,26)/t21-/m1/s1