ethanedioic acid; N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine

Systemtic Name: ethanedioic acid; N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine Openeye Name: N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine; oxalic acid CAS Name: N-[(9-ethyl-3-carbazolyl)methyl]-1-adamantanamine; oxalic acid IUPAC Name: N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine; oxalic acid Traditional Name: 1-adamantyl-[(9-ethylcarbazol-3-yl)methyl]amine; oxalic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CNC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C61.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CNC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C61.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H30N2.C2H2O4/c1-2-27-23-6-4-3-5-21(23)22-12-17(7-8-24(22)27)16-26-25-13-18-9-19(14-25)11-20(10-18)15-25;3-1(4)2(5)6/h3-8,12,18-20,26H,2,9-11,13-16H2,1H3;(H,3,4)(H,5,6)