[4-(2-azanylethyl)-2-(3-methylbutanoyloxy)phenyl] 3-methylbutanoate

Systemtic Name: [4-(2-azanylethyl)-2-(3-methylbutanoyloxy)phenyl] 3-methylbutanoate Openeye Name: [4-(2-aminoethyl)-2-(3-methylbutanoyloxy)phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-(2-aminoethyl)-2-(3-methyl-1-oxobutoxy)phenyl] ester IUPAC Name: [4-(2-aminoethyl)-2-(3-methylbutanoyloxy)phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-(2-aminoethyl)-2-isovaleryloxy-phenyl] ester Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=C(C=C(C=C1)CCN)OC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)OC1=C(C=C(C=C1)CCN)OC(=O)CC(C)C

InChI

InChI=1S/C18H27NO4/c1-12(2)9-17(20)22-15-6-5-14(7-8-19)11-16(15)23-18(21)10-13(3)4/h5-6,11-13H,7-10,19H2,1-4H3