ethanedioic acid; N-[3-[4-(phenylmethyl)phenoxy]propyl]cyclopentanamine

Systemtic Name: ethanedioic acid; N-[3-[4-(phenylmethyl)phenoxy]propyl]cyclopentanamine Openeye Name: N-[3-(4-benzylphenoxy)propyl]cyclopentanamine; oxalic acid CAS Name: oxalic acid; N-[3-[4-(phenylmethyl)phenoxy]propyl]cyclopentanamine IUPAC Name: N-[3-(4-benzylphenoxy)propyl]cyclopentanamine; oxalic acid Traditional Name: 3-(4-benzylphenoxy)propyl-cyclopentyl-amine; oxalic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NCCCOC2=CC=C(C=C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)NCCCOC2=CC=C(C=C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27NO.C2H2O4/c1-2-7-18(8-3-1)17-19-11-13-21(14-12-19)23-16-6-15-22-20-9-4-5-10-20;3-1(4)2(5)6/h1-3,7-8,11-14,20,22H,4-6,9-10,15-17H2;(H,3,4)(H,5,6)