ethyl 3-[3-[(2R,4S)-4-(phenylmethyl)piperidin-2-yl]propylcarbamoylamino]benzoate

Systemtic Name: ethyl 3-[3-[(2R,4S)-4-(phenylmethyl)piperidin-2-yl]propylcarbamoylamino]benzoate Openeye Name: ethyl 3-[3-[(2R,4S)-4-benzyl-2-piperidyl]propylcarbamoylamino]benzoate CAS Name: 3-[[oxo-[3-[(2R,4S)-4-(phenylmethyl)-2-piperidinyl]propylamino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(2R,4S)-4-benzylpiperidin-2-yl]propylcarbamoylamino]benzoate Traditional Name: 3-[3-[(2R,4S)-4-benzyl-2-piperidyl]propylcarbamoylamino]benzoic acid ethyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCCCC2CC(CCN2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCCC[C@@H]2C[C@H](CCN2)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-2-31-24(29)21-10-6-11-23(18-21)28-25(30)27-14-7-12-22-17-20(13-15-26-22)16-19-8-4-3-5-9-19/h3-6,8-11,18,20,22,26H,2,7,12-17H2,1H3,(H2,27,28,30)/t20-,22-/m1/s1