[2-[(6-hexoxyhexylamino)methyl]-3-(hydroxymethyl)-4-oxidanyl-phenyl]methyl benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCCCCCCNCC1=C(C=CC(=C1CO)O)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCOCCCCCCNCC1=C(C=CC(=C1CO)O)COC(=O)C2=CC=CC=C2

InChI

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