[3-[methyl-(phenylmethyl)amino]-2-oxidanyl-propyl] 4-(propylamino)benzoate

Systemtic Name: [3-[methyl-(phenylmethyl)amino]-2-oxidanyl-propyl] 4-(propylamino)benzoate Openeye Name: [3-[benzyl(methyl)amino]-2-hydroxy-propyl] 4-(propylamino)benzoate CAS Name: 4-(propylamino)benzoic acid [2-hydroxy-3-[methyl-(phenylmethyl)amino]propyl] ester IUPAC Name: [3-[benzyl(methyl)amino]-2-hydroxypropyl] 4-(propylamino)benzoate Traditional Name: 4-(propylamino)benzoic acid [3-[benzyl(methyl)amino]-2-hydroxy-propyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=C(C=C1)C(=O)OCC(CN(C)CC2=CC=CC=C2)O

Isomeric SMILES

CCCNC1=CC=C(C=C1)C(=O)OCC(CN(C)CC2=CC=CC=C2)O

InChI

InChI=1S/C21H28N2O3/c1-3-13-22-19-11-9-18(10-12-19)21(25)26-16-20(24)15-23(2)14-17-7-5-4-6-8-17/h4-12,20,22,24H,3,13-16H2,1-2H3