[2-[[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]methyl]-3-phenylmethoxy-propyl] ethanoate

Systemtic Name: [2-[[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]methyl]-3-phenylmethoxy-propyl] ethanoate Openeye Name: [2-(benzyloxymethyl)-3-[[2-(4-hydroxy-3-methoxy-phenyl)acetyl]amino]propyl] acetate CAS Name: acetic acid [2-[[[2-(4-hydroxy-3-methoxyphenyl)-1-oxoethyl]amino]methyl]-3-phenylmethoxypropyl] ester IUPAC Name: [2-[[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]methyl]-3-phenylmethoxypropyl] acetate Traditional Name: acetic acid [2-(benzoxymethyl)-3-(homovanilloylamino)propyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CNC(=O)CC1=CC(=C(C=C1)O)OC)COCC2=CC=CC=C2

Isomeric SMILES

CC(=O)OCC(CNC(=O)CC1=CC(=C(C=C1)O)OC)COCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO6/c1-16(24)29-15-19(14-28-13-17-6-4-3-5-7-17)12-23-22(26)11-18-8-9-20(25)21(10-18)27-2/h3-10,19,25H,11-15H2,1-2H3,(H,23,26)