octan-1-amine; 1-(4-propan-2-ylthiophen-2-yl)propyl 3,3-dimethylbutanoate

Systemtic Name: octan-1-amine; 1-(4-propan-2-ylthiophen-2-yl)propyl 3,3-dimethylbutanoate Openeye Name: 1-(4-isopropyl-2-thienyl)propyl 3,3-dimethylbutanoate; octan-1-amine CAS Name: 3,3-dimethylbutanoic acid 1-(4-propan-2-yl-2-thiophenyl)propyl ester; 1-octanamine IUPAC Name: octan-1-amine; 1-(4-propan-2-ylthiophen-2-yl)propyl 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid 1-(4-isopropyl-2-thienyl)propyl ester; octylamine Formula: C24H45NO2S MolecularWeight: 411.6846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN.CCC(C1=CC(=CS1)C(C)C)OC(=O)CC(C)(C)C

Isomeric SMILES

CCCCCCCCN.CCC(C1=CC(=CS1)C(C)C)OC(=O)CC(C)(C)C

InChI

InChI=1S/C16H26O2S.C8H19N/c1-7-13(18-15(17)9-16(4,5)6)14-8-12(10-19-14)11(2)3;1-2-3-4-5-6-7-8-9/h8,10-11,13H,7,9H2,1-6H3;2-9H2,1H3