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

Systemtic Name: 4-[(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)-(3-methylbutyl)amino]benzoic acid Openeye Name: 4-[isopentyl-(1-isopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)amino]benzoic acid CAS Name: 4-[(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)-(3-methylbutyl)amino]benzoic acid IUPAC Name: 4-[(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)-(3-methylbutyl)amino]benzoic acid Traditional Name: 4-[isoamyl-(1-isopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)amino]benzoic acid Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)N(CCC3(C)C)C(C)C

Isomeric SMILES

CC(C)CCN(C1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)N(CCC3(C)C)C(C)C

InChI

InChI=1S/C26H36N2O2/c1-18(2)13-15-28(21-9-7-20(8-10-21)25(29)30)22-11-12-24-23(17-22)26(5,6)14-16-27(24)19(3)4/h7-12,17-19H,13-16H2,1-6H3,(H,29,30)