ethanedioic acid; N-(3-methoxypropyl)-4-(4-phenylmethoxyphenoxy)butan-1-amine

Systemtic Name: ethanedioic acid; N-(3-methoxypropyl)-4-(4-phenylmethoxyphenoxy)butan-1-amine Openeye Name: 4-(4-benzyloxyphenoxy)-N-(3-methoxypropyl)butan-1-amine; oxalic acid CAS Name: N-(3-methoxypropyl)-4-(4-phenylmethoxyphenoxy)-1-butanamine; oxalic acid IUPAC Name: N-(3-methoxypropyl)-4-(4-phenylmethoxyphenoxy)butan-1-amine; oxalic acid Traditional Name: 4-(4-benzoxyphenoxy)butyl-(3-methoxypropyl)amine; oxalic acid Formula: C23H31NO7 MolecularWeight: 433.49474

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNCCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

COCCCNCCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29NO3.C2H2O4/c1-23-16-7-15-22-14-5-6-17-24-20-10-12-21(13-11-20)25-18-19-8-3-2-4-9-19;3-1(4)2(5)6/h2-4,8-13,22H,5-7,14-18H2,1H3;(H,3,4)(H,5,6)