ethanedioic acid; N-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]pentan-3-amine

Systemtic Name: ethanedioic acid; N-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]pentan-3-amine Openeye Name: N-[(3-benzyloxy-4-methoxy-phenyl)methyl]pentan-3-amine; oxalic acid CAS Name: N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3-pentanamine; oxalic acid IUPAC Name: N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentan-3-amine; oxalic acid Traditional Name: (3-benzoxy-4-methoxy-benzyl)-(1-ethylpropyl)amine; oxalic acid Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=CC(=C(C=C1)OC)OCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)NCC1=CC(=C(C=C1)OC)OCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27NO2.C2H2O4/c1-4-18(5-2)21-14-17-11-12-19(22-3)20(13-17)23-15-16-9-7-6-8-10-16;3-1(4)2(5)6/h6-13,18,21H,4-5,14-15H2,1-3H3;(H,3,4)(H,5,6)