ethyl (3R)-1-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[(2-ethoxy-2-oxo-ethyl)carbamoyl]-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3R)-1-[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[(2-ethoxy-2-keto-ethyl)carbamoyl]-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCCC(C1)(CC2=CC=CC=C2C)C(=O)OCC

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCC[C@](C1)(CC2=CC=CC=C2C)C(=O)OCC

InChI

InChI=1S/C21H30N2O5/c1-4-27-18(24)14-22-20(26)23-12-8-11-21(15-23,19(25)28-5-2)13-17-10-7-6-9-16(17)3/h6-7,9-10H,4-5,8,11-15H2,1-3H3,(H,22,26)/t21-/m1/s1