4-[2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine; ethanedioic acid

Systemtic Name: 4-[2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine; ethanedioic acid Openeye Name: 4-[2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine; oxalic acid CAS Name: 4-[2-(3,4-dichlorophenyl)-1H-indol-3-yl]-1-butanamine; oxalic acid IUPAC Name: 4-[2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine; oxalic acid Traditional Name: 4-[2-(3,4-dichlorophenyl)-1H-indol-3-yl]butylamine; oxalic acid Formula: C20H20Cl2N2O4 MolecularWeight: 423.2898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C3=CC(=C(C=C3)Cl)Cl)CCCCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=CC(=C(C=C3)Cl)Cl)CCCCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18Cl2N2.C2H2O4/c19-15-9-8-12(11-16(15)20)18-14(6-3-4-10-21)13-5-1-2-7-17(13)22-18;3-1(4)2(5)6/h1-2,5,7-9,11,22H,3-4,6,10,21H2;(H,3,4)(H,5,6)