[3-(hydroxymethyl)-4-oxidanyl-pentan-2-yl] 4-(hexadecylamino)benzoate

Systemtic Name: [3-(hydroxymethyl)-4-oxidanyl-pentan-2-yl] 4-(hexadecylamino)benzoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-1-methyl-butyl] 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid [4-hydroxy-3-(hydroxymethyl)pentan-2-yl] ester IUPAC Name: [4-hydroxy-3-(hydroxymethyl)pentan-2-yl] 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid (3-hydroxy-1-methyl-2-methylol-butyl) ester Formula: C29H51NO4 MolecularWeight: 477.71954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)C(CO)C(C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)C(CO)C(C)O

InChI

InChI=1S/C29H51NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-27-20-18-26(19-21-27)29(33)34-25(3)28(23-31)24(2)32/h18-21,24-25,28,30-32H,4-17,22-23H2,1-3H3