ethanedioic acid; [4-[methyl(phenethyl)amino]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

Systemtic Name: ethanedioic acid; [4-[methyl(phenethyl)amino]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone Openeye Name: [4-[methyl(phenethyl)amino]-1-piperidyl]-(4-pyrrolidin-1-ylphenyl)methanone; oxalic acid CAS Name: [4-[methyl(phenethyl)amino]-1-piperidinyl]-[4-(1-pyrrolidinyl)phenyl]methanone; oxalic acid IUPAC Name: [4-[methyl(phenethyl)amino]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone; oxalic acid Traditional Name: [4-[methyl(phenethyl)amino]piperidino]-(4-pyrrolidinophenyl)methanone; oxalic acid Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H33N3O.C2H2O4/c1-26(18-13-21-7-3-2-4-8-21)23-14-19-28(20-15-23)25(29)22-9-11-24(12-10-22)27-16-5-6-17-27;3-1(4)2(5)6/h2-4,7-12,23H,5-6,13-20H2,1H3;(H,3,4)(H,5,6)