ethanedioic acid; 3-methyl-1-[4-[phenethyl-(phenylmethyl)amino]piperidin-1-yl]butan-1-one

Systemtic Name: ethanedioic acid; 3-methyl-1-[4-[phenethyl-(phenylmethyl)amino]piperidin-1-yl]butan-1-one Openeye Name: 1-[4-[benzyl(phenethyl)amino]-1-piperidyl]-3-methyl-butan-1-one; oxalic acid CAS Name: 3-methyl-1-[4-[phenethyl-(phenylmethyl)amino]-1-piperidinyl]-1-butanone; oxalic acid IUPAC Name: 1-[4-[benzyl(phenethyl)amino]piperidin-1-yl]-3-methylbutan-1-one; oxalic acid Traditional Name: 1-[4-[benzyl(phenethyl)amino]piperidino]-3-methyl-butan-1-one; oxalic acid Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)N(CCC2=CC=CC=C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)N(CCC2=CC=CC=C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H34N2O.C2H2O4/c1-21(2)19-25(28)26-17-14-24(15-18-26)27(20-23-11-7-4-8-12-23)16-13-22-9-5-3-6-10-22;3-1(4)2(5)6/h3-12,21,24H,13-20H2,1-2H3;(H,3,4)(H,5,6)