[3-(hydroxymethyl)-2-[[[2-methyl-7-(2-thiophen-2-ylethoxy)heptan-2-yl]amino]methyl]-4-oxidanyl-phenyl]methyl benzoate

Systemtic Name: [3-(hydroxymethyl)-2-[[[2-methyl-7-(2-thiophen-2-ylethoxy)heptan-2-yl]amino]methyl]-4-oxidanyl-phenyl]methyl benzoate Openeye Name: [2-[[[1,1-dimethyl-6-[2-(2-thienyl)ethoxy]hexyl]amino]methyl]-4-hydroxy-3-(hydroxymethyl)phenyl]methyl benzoate CAS Name: benzoic acid [4-hydroxy-3-(hydroxymethyl)-2-[[[2-methyl-7-(2-thiophen-2-ylethoxy)heptan-2-yl]amino]methyl]phenyl]methyl ester IUPAC Name: [4-hydroxy-3-(hydroxymethyl)-2-[[[2-methyl-7-(2-thiophen-2-ylethoxy)heptan-2-yl]amino]methyl]phenyl]methyl benzoate Traditional Name: benzoic acid [2-[[[1,1-dimethyl-6-[2-(2-thienyl)ethoxy]hexyl]amino]methyl]-4-hydroxy-3-methylol-benzyl] ester Formula: C30H39NO5S MolecularWeight: 525.69936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCOCCC1=CC=CS1)NCC2=C(C=CC(=C2CO)O)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CCCCCOCCC1=CC=CS1)NCC2=C(C=CC(=C2CO)O)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H39NO5S/c1-30(2,16-7-4-8-17-35-18-15-25-12-9-19-37-25)31-20-26-24(13-14-28(33)27(26)21-32)22-36-29(34)23-10-5-3-6-11-23/h3,5-6,9-14,19,31-33H,4,7-8,15-18,20-22H2,1-2H3