ethanedioic acid; 2-phenyl-3-[[1-(phenylmethyl)piperidin-2-yl]methyl]-1H-indole

Systemtic Name: ethanedioic acid; 2-phenyl-3-[[1-(phenylmethyl)piperidin-2-yl]methyl]-1H-indole Openeye Name: 3-[(1-benzyl-2-piperidyl)methyl]-2-phenyl-1H-indole; oxalic acid CAS Name: oxalic acid; 2-phenyl-3-[[1-(phenylmethyl)-2-piperidinyl]methyl]-1H-indole IUPAC Name: 3-[(1-benzylpiperidin-2-yl)methyl]-2-phenyl-1H-indole; oxalic acid Traditional Name: 3-[(1-benzyl-2-piperidyl)methyl]-2-phenyl-1H-indole; oxalic acid Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C(C1)CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H28N2.C2H2O4/c1-3-11-21(12-4-1)20-29-18-10-9-15-23(29)19-25-24-16-7-8-17-26(24)28-27(25)22-13-5-2-6-14-22;3-1(4)2(5)6/h1-8,11-14,16-17,23,28H,9-10,15,18-20H2;(H,3,4)(H,5,6)