2-butyl-4-(dimethylamino)benzoate; 4-(diethylamino)-2-propan-2-yl-benzoate

Systemtic Name: 2-butyl-4-(dimethylamino)benzoate; 4-(diethylamino)-2-propan-2-yl-benzoate Openeye Name: 2-butyl-4-(dimethylamino)benzoate; 4-(diethylamino)-2-isopropyl-benzoate CAS Name: 2-butyl-4-(dimethylamino)benzoate; 4-(diethylamino)-2-propan-2-ylbenzoate IUPAC Name: 2-butyl-4-(dimethylamino)benzoate; 4-(diethylamino)-2-propan-2-ylbenzoate Traditional Name: 2-butyl-4-(dimethylamino)benzoate; 4-(diethylamino)-2-isopropyl-benzoate Formula: C27H38N2O4-2 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)N(C)C)C(=O)[O-].CCN(CC)C1=CC(=C(C=C1)C(=O)[O-])C(C)C

Isomeric SMILES

CCCCC1=C(C=CC(=C1)N(C)C)C(=O)[O-].CCN(CC)C1=CC(=C(C=C1)C(=O)[O-])C(C)C

InChI

InChI=1S/C14H21NO2.C13H19NO2/c1-5-15(6-2)11-7-8-12(14(16)17)13(9-11)10(3)4;1-4-5-6-10-9-11(14(2)3)7-8-12(10)13(15)16/h7-10H,5-6H2,1-4H3,(H,16,17);7-9H,4-6H2,1-3H3,(H,15,16)/p-2