[2-(aminomethyl)-5-(6-ethoxy-1-thiophen-2-yl-hexyl)-3-(hydroxymethyl)-4-oxidanyl-phenyl]methyl benzoate

Systemtic Name: [2-(aminomethyl)-5-(6-ethoxy-1-thiophen-2-yl-hexyl)-3-(hydroxymethyl)-4-oxidanyl-phenyl]methyl benzoate Openeye Name: [2-(aminomethyl)-5-[6-ethoxy-1-(2-thienyl)hexyl]-4-hydroxy-3-(hydroxymethyl)phenyl]methyl benzoate CAS Name: benzoic acid [2-(aminomethyl)-5-(6-ethoxy-1-thiophen-2-ylhexyl)-4-hydroxy-3-(hydroxymethyl)phenyl]methyl ester IUPAC Name: [2-(aminomethyl)-5-(6-ethoxy-1-thiophen-2-ylhexyl)-4-hydroxy-3-(hydroxymethyl)phenyl]methyl benzoate Traditional Name: benzoic acid [2-(aminomethyl)-5-[6-ethoxy-1-(2-thienyl)hexyl]-4-hydroxy-3-methylol-benzyl] ester Formula: C28H35NO5S MolecularWeight: 497.6462

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCCC(C1=CC=CS1)C2=C(C(=C(C(=C2)COC(=O)C3=CC=CC=C3)CN)CO)O

Isomeric SMILES

CCOCCCCCC(C1=CC=CS1)C2=C(C(=C(C(=C2)COC(=O)C3=CC=CC=C3)CN)CO)O

InChI

InChI=1S/C28H35NO5S/c1-2-33-14-8-4-7-12-22(26-13-9-15-35-26)23-16-21(24(17-29)25(18-30)27(23)31)19-34-28(32)20-10-5-3-6-11-20/h3,5-6,9-11,13,15-16,22,30-31H,2,4,7-8,12,14,17-19,29H2,1H3