1-[4-(tert-butylamino)cyclohepta[b]indol-7-yl]-3,3-dimethyl-butan-1-one; ethanedioic acid

Systemtic Name: 1-[4-(tert-butylamino)cyclohepta[b]indol-7-yl]-3,3-dimethyl-butan-1-one; ethanedioic acid Openeye Name: 1-[4-(tert-butylamino)cyclohepta[b]indol-7-yl]-3,3-dimethyl-butan-1-one; oxalic acid CAS Name: 1-[4-(tert-butylamino)-7-cyclohepta[b]indolyl]-3,3-dimethyl-1-butanone; oxalic acid IUPAC Name: 1-[4-(tert-butylamino)cyclohepta[b]indol-7-yl]-3,3-dimethylbutan-1-one; oxalic acid Traditional Name: 1-[4-(tert-butylamino)cyclohept[b]indol-7-yl]-3,3-dimethyl-butan-1-one; oxalic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=CC=CC2=C3C=CC=C(C3=NC2=C1)NC(C)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)CC(=O)C1=CC=CC2=C3C=CC=C(C3=NC2=C1)NC(C)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N2O.C2H2O4/c1-22(2,3)14-20(26)15-9-7-10-16-17-11-8-12-18(25-23(4,5)6)21(17)24-19(16)13-15;3-1(4)2(5)6/h7-13,25H,14H2,1-6H3;(H,3,4)(H,5,6)