methanoic acid; 3-(3-methylbutylamino)butan-2-yl benzoate

Systemtic Name: methanoic acid; 3-(3-methylbutylamino)butan-2-yl benzoate Openeye Name: formic acid; [2-(isopentylamino)-1-methyl-propyl] benzoate CAS Name: benzoic acid 3-(3-methylbutylamino)butan-2-yl ester; formic acid IUPAC Name: formic acid; 3-(3-methylbutylamino)butan-2-yl benzoate Traditional Name: benzoic acid [2-(isoamylamino)-1-methyl-propyl] ester; formic acid Formula: C17H27NO4 MolecularWeight: 309.40058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(C)C(C)OC(=O)C1=CC=CC=C1.C(=O)O

Isomeric SMILES

CC(C)CCNC(C)C(C)OC(=O)C1=CC=CC=C1.C(=O)O

InChI

InChI=1S/C16H25NO2.CH2O2/c1-12(2)10-11-17-13(3)14(4)19-16(18)15-8-6-5-7-9-15;2-1-3/h5-9,12-14,17H,10-11H2,1-4H3;1H,(H,2,3)