4-[(4,4-dimethyl-2-oxidanylidene-1-propan-2-yl-3H-quinolin-6-yl)methylamino]benzoic acid

Systemtic Name: 4-[(4,4-dimethyl-2-oxidanylidene-1-propan-2-yl-3H-quinolin-6-yl)methylamino]benzoic acid Openeye Name: 4-[(1-isopropyl-4,4-dimethyl-2-oxo-3H-quinolin-6-yl)methylamino]benzoic acid CAS Name: 4-[(4,4-dimethyl-2-oxo-1-propan-2-yl-3H-quinolin-6-yl)methylamino]benzoic acid IUPAC Name: 4-[(4,4-dimethyl-2-oxo-1-propan-2-yl-3H-quinolin-6-yl)methylamino]benzoic acid Traditional Name: 4-[(1-isopropyl-2-keto-4,4-dimethyl-3H-quinolin-6-yl)methylamino]benzoic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)CC(C2=C1C=CC(=C2)CNC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CC(C)N1C(=O)CC(C2=C1C=CC(=C2)CNC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C22H26N2O3/c1-14(2)24-19-10-5-15(11-18(19)22(3,4)12-20(24)25)13-23-17-8-6-16(7-9-17)21(26)27/h5-11,14,23H,12-13H2,1-4H3,(H,26,27)