[3-(hydroxymethyl)-2-[(8-phenethyloxyoctan-4-ylamino)methyl]phenyl]methyl benzoate

Systemtic Name: [3-(hydroxymethyl)-2-[(8-phenethyloxyoctan-4-ylamino)methyl]phenyl]methyl benzoate Openeye Name: [3-(hydroxymethyl)-2-[[(5-phenethyloxy-1-propyl-pentyl)amino]methyl]phenyl]methyl benzoate CAS Name: benzoic acid [3-(hydroxymethyl)-2-[(8-phenethyloxyoctan-4-ylamino)methyl]phenyl]methyl ester IUPAC Name: [3-(hydroxymethyl)-2-[(8-phenethyloxyoctan-4-ylamino)methyl]phenyl]methyl benzoate Traditional Name: benzoic acid [3-methylol-2-[[(5-phenethyloxy-1-propyl-pentyl)amino]methyl]benzyl] ester Formula: C32H41NO4 MolecularWeight: 503.67224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCOCCC1=CC=CC=C1)NCC2=C(C=CC=C2COC(=O)C3=CC=CC=C3)CO

Isomeric SMILES

CCCC(CCCCOCCC1=CC=CC=C1)NCC2=C(C=CC=C2COC(=O)C3=CC=CC=C3)CO

InChI

InChI=1S/C32H41NO4/c1-2-12-30(19-9-10-21-36-22-20-26-13-5-3-6-14-26)33-23-31-28(24-34)17-11-18-29(31)25-37-32(35)27-15-7-4-8-16-27/h3-8,11,13-18,30,33-34H,2,9-10,12,19-25H2,1H3