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

Systemtic Name: 4-[(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)methylamino]benzoic acid Openeye Name: 4-[(1-isopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)methylamino]benzoic acid CAS Name: 4-[(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)methylamino]benzoic acid IUPAC Name: 4-[(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)methylamino]benzoic acid Traditional Name: 4-[(1-isopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)methylamino]benzoic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(C2=C1C=CC(=C2)CNC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CC(C)N1CCC(C2=C1C=CC(=C2)CNC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C22H28N2O2/c1-15(2)24-12-11-22(3,4)19-13-16(5-10-20(19)24)14-23-18-8-6-17(7-9-18)21(25)26/h5-10,13,15,23H,11-12,14H2,1-4H3,(H,25,26)