ethanedioic acid; N-methyl-N-(phenylmethyl)-4-(2,3,5-trimethylphenoxy)butan-1-amine

Systemtic Name: ethanedioic acid; N-methyl-N-(phenylmethyl)-4-(2,3,5-trimethylphenoxy)butan-1-amine Openeye Name: N-benzyl-N-methyl-4-(2,3,5-trimethylphenoxy)butan-1-amine; oxalic acid CAS Name: N-methyl-N-(phenylmethyl)-4-(2,3,5-trimethylphenoxy)-1-butanamine; oxalic acid IUPAC Name: N-benzyl-N-methyl-4-(2,3,5-trimethylphenoxy)butan-1-amine; oxalic acid Traditional Name: benzyl-methyl-[4-(2,3,5-trimethylphenoxy)butyl]amine; oxalic acid Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCCN(C)CC2=CC=CC=C2)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCCN(C)CC2=CC=CC=C2)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29NO.C2H2O4/c1-17-14-18(2)19(3)21(15-17)23-13-9-8-12-22(4)16-20-10-6-5-7-11-20;3-1(4)2(5)6/h5-7,10-11,14-15H,8-9,12-13,16H2,1-4H3;(H,3,4)(H,5,6)