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

Systemtic Name: 4-[1-(4,4-dimethyl-2-oxidanylidene-1-propan-2-yl-3H-quinolin-6-yl)ethylamino]benzoic acid Openeye Name: 4-[1-(1-isopropyl-4,4-dimethyl-2-oxo-3H-quinolin-6-yl)ethylamino]benzoic acid CAS Name: 4-[1-(4,4-dimethyl-2-oxo-1-propan-2-yl-3H-quinolin-6-yl)ethylamino]benzoic acid IUPAC Name: 4-[1-(4,4-dimethyl-2-oxo-1-propan-2-yl-3H-quinolin-6-yl)ethylamino]benzoic acid Traditional Name: 4-[1-(1-isopropyl-2-keto-4,4-dimethyl-3H-quinolin-6-yl)ethylamino]benzoic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)CC(C2=C1C=CC(=C2)C(C)NC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CC(C)N1C(=O)CC(C2=C1C=CC(=C2)C(C)NC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C23H28N2O3/c1-14(2)25-20-11-8-17(12-19(20)23(4,5)13-21(25)26)15(3)24-18-9-6-16(7-10-18)22(27)28/h6-12,14-15,24H,13H2,1-5H3,(H,27,28)