2,2-dimethyl-N-[4-(2-methylpropylamino)cyclohepta[b]indol-7-yl]propanamide; phthalic acid

Systemtic Name: 2,2-dimethyl-N-[4-(2-methylpropylamino)cyclohepta[b]indol-7-yl]propanamide; phthalic acid Openeye Name: N-[4-(isobutylamino)cyclohepta[b]indol-7-yl]-2,2-dimethyl-propanamide; phthalic acid CAS Name: 2,2-dimethyl-N-[4-(2-methylpropylamino)-7-cyclohepta[b]indolyl]propanamide; phthalic acid IUPAC Name: 2,2-dimethyl-N-[4-(2-methylpropylamino)cyclohepta[b]indol-7-yl]propanamide; phthalic acid Traditional Name: N-[4-(isobutylamino)cyclohept[b]indol-7-yl]-2,2-dimethyl-propionamide; phthalic acid Formula: C30H33N3O5 MolecularWeight: 515.60012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=O)C(C)(C)C.C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CNC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=O)C(C)(C)C.C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C22H27N3O.C8H6O4/c1-14(2)13-23-18-11-7-10-17-16-9-6-8-15(12-19(16)25-20(17)18)24-21(26)22(3,4)5;9-7(10)5-3-1-2-4-6(5)8(11)12/h6-12,14,23H,13H2,1-5H3,(H,24,26);1-4H,(H,9,10)(H,11,12)