[1-(butylamino)-6-oxidanyl-hexan-2-yl] benzoate

Systemtic Name: [1-(butylamino)-6-oxidanyl-hexan-2-yl] benzoate Openeye Name: [1-(butylaminomethyl)-5-hydroxy-pentyl] benzoate CAS Name: benzoic acid [1-(butylamino)-6-hydroxyhexan-2-yl] ester IUPAC Name: [1-(butylamino)-6-hydroxyhexan-2-yl] benzoate Traditional Name: benzoic acid [1-(butylaminomethyl)-5-hydroxy-pentyl] ester Formula: C17H27NO3 MolecularWeight: 293.40118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(CCCCO)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCNCC(CCCCO)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H27NO3/c1-2-3-12-18-14-16(11-7-8-13-19)21-17(20)15-9-5-4-6-10-15/h4-6,9-10,16,18-19H,2-3,7-8,11-14H2,1H3