[3-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxidanyl-propyl] butanoate

Systemtic Name: [3-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxidanyl-propyl] butanoate Openeye Name: [2-hydroxy-3-[o-tolylmethyl(tetrahydrofuran-2-ylmethyl)amino]propyl] butanoate CAS Name: butanoic acid [2-hydroxy-3-[(2-methylphenyl)methyl-(2-oxolanylmethyl)amino]propyl] ester IUPAC Name: [2-hydroxy-3-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]propyl] butanoate Traditional Name: butyric acid [2-hydroxy-3-[(2-methylbenzyl)-(tetrahydrofurfuryl)amino]propyl] ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CN(CC1CCCO1)CC2=CC=CC=C2C)O

Isomeric SMILES

CCCC(=O)OCC(CN(CC1CCCO1)CC2=CC=CC=C2C)O

InChI

InChI=1S/C20H31NO4/c1-3-7-20(23)25-15-18(22)13-21(14-19-10-6-11-24-19)12-17-9-5-4-8-16(17)2/h4-5,8-9,18-19,22H,3,6-7,10-15H2,1-2H3