ethanedioic acid; N-(6-methyl-2-pyrrolidin-1-yl-heptyl)-N-(phenylmethyl)aniline

Systemtic Name: ethanedioic acid; N-(6-methyl-2-pyrrolidin-1-yl-heptyl)-N-(phenylmethyl)aniline Openeye Name: N-benzyl-N-(6-methyl-2-pyrrolidin-1-yl-heptyl)aniline; oxalic acid CAS Name: N-[6-methyl-2-(1-pyrrolidinyl)heptyl]-N-(phenylmethyl)aniline; oxalic acid IUPAC Name: N-benzyl-N-(6-methyl-2-pyrrolidin-1-ylheptyl)aniline; oxalic acid Traditional Name: benzyl-(6-methyl-2-pyrrolidino-heptyl)-phenyl-amine; oxalic acid Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CCCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H36N2.C2H2O4/c1-22(2)12-11-17-25(26-18-9-10-19-26)21-27(24-15-7-4-8-16-24)20-23-13-5-3-6-14-23;3-1(4)2(5)6/h3-8,13-16,22,25H,9-12,17-21H2,1-2H3;(H,3,4)(H,5,6)