[4-(3-azanylbutyl)phenyl] 2-methylpropanoate; [4-ethyl-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate

Systemtic Name: [4-(3-azanylbutyl)phenyl] 2-methylpropanoate; [4-ethyl-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate Openeye Name: [4-(3-aminobutyl)phenyl] 2-methylpropanoate; [4-ethyl-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [4-(3-aminobutyl)phenyl] ester; 2-methylpropanoic acid [4-ethyl-2-(2-methyl-1-oxopropoxy)phenyl] ester IUPAC Name: [4-(3-aminobutyl)phenyl] 2-methylpropanoate; [4-ethyl-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4-(3-aminobutyl)phenyl] ester; 2-methylpropionic acid (4-ethyl-2-isobutyryloxy-phenyl) ester Formula: C30H43NO6 MolecularWeight: 513.66552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(=O)C(C)C)OC(=O)C(C)C.CC(C)C(=O)OC1=CC=C(C=C1)CCC(C)N

Isomeric SMILES

CCC1=CC(=C(C=C1)OC(=O)C(C)C)OC(=O)C(C)C.CC(C)C(=O)OC1=CC=C(C=C1)CCC(C)N

InChI

InChI=1S/C16H22O4.C14H21NO2/c1-6-12-7-8-13(19-15(17)10(2)3)14(9-12)20-16(18)11(4)5;1-10(2)14(16)17-13-8-6-12(7-9-13)5-4-11(3)15/h7-11H,6H2,1-5H3;6-11H,4-5,15H2,1-3H3