N-butan-2-yl-4-(3-phenoxyphenoxy)butan-1-amine; ethanedioic acid

Systemtic Name: N-butan-2-yl-4-(3-phenoxyphenoxy)butan-1-amine; ethanedioic acid Openeye Name: oxalic acid; 4-(3-phenoxyphenoxy)-N-sec-butyl-butan-1-amine CAS Name: N-butan-2-yl-4-(3-phenoxyphenoxy)-1-butanamine; oxalic acid IUPAC Name: N-butan-2-yl-4-(3-phenoxyphenoxy)butan-1-amine; oxalic acid Traditional Name: oxalic acid; 4-(3-phenoxyphenoxy)butyl-sec-butyl-amine Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCCCOC1=CC=CC(=C1)OC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCCCCOC1=CC=CC(=C1)OC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27NO2.C2H2O4/c1-3-17(2)21-14-7-8-15-22-19-12-9-13-20(16-19)23-18-10-5-4-6-11-18;3-1(4)2(5)6/h4-6,9-13,16-17,21H,3,7-8,14-15H2,1-2H3;(H,3,4)(H,5,6)