ethyl (3R)-3-[(2-methylphenyl)methyl]-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-[(2-methylphenyl)methyl]-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-(o-tolylmethyl)-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-3-carboxylate CAS Name: (3R)-3-[(2-methylphenyl)methyl]-1-[oxo-[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(2-methylphenyl)methyl]-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[4-(2-ketopyrrolidino)benzoyl]-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(C=C2)N3CCCC3=O)CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=CC=C(C=C2)N3CCCC3=O)CC4=CC=CC=C4C

InChI

InChI=1S/C27H32N2O4/c1-3-33-26(32)27(18-22-9-5-4-8-20(22)2)15-7-16-28(19-27)25(31)21-11-13-23(14-12-21)29-17-6-10-24(29)30/h4-5,8-9,11-14H,3,6-7,10,15-19H2,1-2H3/t27-/m1/s1