(phenylmethyl) 2-ethoxy-4-[2-[[2-(hydroxymethyl)-6-piperidin-1-yl-phenyl]methylamino]-2-oxidanylidene-ethyl]benzoate

Systemtic Name: (phenylmethyl) 2-ethoxy-4-[2-[[2-(hydroxymethyl)-6-piperidin-1-yl-phenyl]methylamino]-2-oxidanylidene-ethyl]benzoate Openeye Name: benzyl 2-ethoxy-4-[2-[[2-(hydroxymethyl)-6-(1-piperidyl)phenyl]methylamino]-2-oxo-ethyl]benzoate CAS Name: 2-ethoxy-4-[2-[[2-(hydroxymethyl)-6-(1-piperidinyl)phenyl]methylamino]-2-oxoethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-ethoxy-4-[2-[[2-(hydroxymethyl)-6-piperidin-1-ylphenyl]methylamino]-2-oxoethyl]benzoate Traditional Name: 2-ethoxy-4-[2-keto-2-[(2-methylol-6-piperidino-benzyl)amino]ethyl]benzoic acid benzyl ester Formula: C31H36N2O5 MolecularWeight: 516.62794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)NCC2=C(C=CC=C2N3CCCCC3)CO)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)NCC2=C(C=CC=C2N3CCCCC3)CO)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H36N2O5/c1-2-37-29-18-24(14-15-26(29)31(36)38-22-23-10-5-3-6-11-23)19-30(35)32-20-27-25(21-34)12-9-13-28(27)33-16-7-4-8-17-33/h3,5-6,9-15,18,34H,2,4,7-8,16-17,19-22H2,1H3,(H,32,35)