[2-(aminomethyl)-5-(6-hexoxyhexyl)-3-(hydroxymethyl)-4-oxidanyl-phenyl]methyl benzoate

Systemtic Name: [2-(aminomethyl)-5-(6-hexoxyhexyl)-3-(hydroxymethyl)-4-oxidanyl-phenyl]methyl benzoate Openeye Name: [2-(aminomethyl)-5-(6-hexoxyhexyl)-4-hydroxy-3-(hydroxymethyl)phenyl]methyl benzoate CAS Name: benzoic acid [2-(aminomethyl)-5-(6-hexoxyhexyl)-4-hydroxy-3-(hydroxymethyl)phenyl]methyl ester IUPAC Name: [2-(aminomethyl)-5-(6-hexoxyhexyl)-4-hydroxy-3-(hydroxymethyl)phenyl]methyl benzoate Traditional Name: benzoic acid [2-(aminomethyl)-5-(6-hexoxyhexyl)-4-hydroxy-3-methylol-benzyl] ester Formula: C28H41NO5 MolecularWeight: 471.62884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCCCCCCC1=C(C(=C(C(=C1)COC(=O)C2=CC=CC=C2)CN)CO)O

Isomeric SMILES

CCCCCCOCCCCCCC1=C(C(=C(C(=C1)COC(=O)C2=CC=CC=C2)CN)CO)O

InChI

InChI=1S/C28H41NO5/c1-2-3-4-11-16-33-17-12-6-5-8-15-23-18-24(25(19-29)26(20-30)27(23)31)21-34-28(32)22-13-9-7-10-14-22/h7,9-10,13-14,18,30-31H,2-6,8,11-12,15-17,19-21,29H2,1H3