ethanedioic acid; 3-[3-[[(4-oxidanylcyclohexyl)amino]methyl]indol-1-yl]propanenitrile

Systemtic Name: ethanedioic acid; 3-[3-[[(4-oxidanylcyclohexyl)amino]methyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[[(4-hydroxycyclohexyl)amino]methyl]indol-1-yl]propanenitrile; oxalic acid CAS Name: 3-[3-[[(4-hydroxycyclohexyl)amino]methyl]-1-indolyl]propanenitrile; oxalic acid IUPAC Name: 3-[3-[[(4-hydroxycyclohexyl)amino]methyl]indol-1-yl]propanenitrile; oxalic acid Traditional Name: 3-[3-[[(4-hydroxycyclohexyl)amino]methyl]indol-1-yl]propionitrile; oxalic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC2=CN(C3=CC=CC=C32)CCC#N)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1NCC2=CN(C3=CC=CC=C32)CCC#N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O.C2H2O4/c19-10-3-11-21-13-14(17-4-1-2-5-18(17)21)12-20-15-6-8-16(22)9-7-15;3-1(4)2(5)6/h1-2,4-5,13,15-16,20,22H,3,6-9,11-12H2;(H,3,4)(H,5,6)