ethanedioic acid; 1-(1-methylindol-3-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one

Systemtic Name: ethanedioic acid; 1-(1-methylindol-3-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one Openeye Name: 3-(1-benzyl-4-piperidyl)-1-(1-methylindol-3-yl)propan-1-one; oxalic acid CAS Name: 1-(1-methyl-3-indolyl)-3-[1-(phenylmethyl)-4-piperidinyl]-1-propanone; oxalic acid IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-(1-methylindol-3-yl)propan-1-one; oxalic acid Traditional Name: 3-(1-benzyl-4-piperidyl)-1-(1-methylindol-3-yl)propan-1-one; oxalic acid Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28N2O.C2H2O4/c1-25-18-22(21-9-5-6-10-23(21)25)24(27)12-11-19-13-15-26(16-14-19)17-20-7-3-2-4-8-20;3-1(4)2(5)6/h2-10,18-19H,11-17H2,1H3;(H,3,4)(H,5,6)