ethanedioic acid; N-[3-(3-propan-2-ylphenoxy)propyl]butan-1-amine

Systemtic Name: ethanedioic acid; N-[3-(3-propan-2-ylphenoxy)propyl]butan-1-amine Openeye Name: N-[3-(3-isopropylphenoxy)propyl]butan-1-amine; oxalic acid CAS Name: oxalic acid; N-[3-(3-propan-2-ylphenoxy)propyl]-1-butanamine IUPAC Name: oxalic acid; N-[3-(3-propan-2-ylphenoxy)propyl]butan-1-amine Traditional Name: butyl-[3-(3-isopropylphenoxy)propyl]amine; oxalic acid Formula: C18H29NO5 MolecularWeight: 339.42656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCOC1=CC=CC(=C1)C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCCOC1=CC=CC(=C1)C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H27NO.C2H2O4/c1-4-5-10-17-11-7-12-18-16-9-6-8-15(13-16)14(2)3;3-1(4)2(5)6/h6,8-9,13-14,17H,4-5,7,10-12H2,1-3H3;(H,3,4)(H,5,6)