[3-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanyl-propyl] butanoate

Systemtic Name: [3-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanyl-propyl] butanoate Openeye Name: [3-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-hydroxy-propyl] butanoate CAS Name: butanoic acid [2-hydroxy-3-[(1-methyl-2-pyrrolyl)methyl-(phenylmethyl)amino]propyl] ester IUPAC Name: [3-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-hydroxypropyl] butanoate Traditional Name: butyric acid [3-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-hydroxy-propyl] ester Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CN(CC1=CC=CC=C1)CC2=CC=CN2C)O

Isomeric SMILES

CCCC(=O)OCC(CN(CC1=CC=CC=C1)CC2=CC=CN2C)O

InChI

InChI=1S/C20H28N2O3/c1-3-8-20(24)25-16-19(23)15-22(13-17-9-5-4-6-10-17)14-18-11-7-12-21(18)2/h4-7,9-12,19,23H,3,8,13-16H2,1-2H3