ethanedioic acid; 3-ethoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine

Systemtic Name: ethanedioic acid; 3-ethoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine Openeye Name: 3-ethoxy-N-[(4-isopentyloxy-3-methoxy-phenyl)methyl]propan-1-amine; oxalic acid CAS Name: 3-ethoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-propanamine; oxalic acid IUPAC Name: 3-ethoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine; oxalic acid Traditional Name: 3-ethoxypropyl-(4-isoamoxy-3-methoxy-benzyl)amine; oxalic acid Formula: C20H33NO7 MolecularWeight: 399.47852

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNCC1=CC(=C(C=C1)OCCC(C)C)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOCCCNCC1=CC(=C(C=C1)OCCC(C)C)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H31NO3.C2H2O4/c1-5-21-11-6-10-19-14-16-7-8-17(18(13-16)20-4)22-12-9-15(2)3;3-1(4)2(5)6/h7-8,13,15,19H,5-6,9-12,14H2,1-4H3;(H,3,4)(H,5,6)