5-azanyl-2-oxidanyl-benzoic acid; [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate

Systemtic Name: 5-azanyl-2-oxidanyl-benzoic acid; [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate Openeye Name: 5-amino-2-hydroxy-benzoic acid; [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate CAS Name: 5-amino-2-hydroxybenzoic acid; 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester IUPAC Name: 5-amino-2-hydroxybenzoic acid; [2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate Traditional Name: 5-amino-2-hydroxy-benzoic acid; 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenyl-butyl] ester Formula: C29H36N2O8 MolecularWeight: 540.60474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C1=CC(=C(C=C1N)C(=O)O)O

Isomeric SMILES

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C1=CC(=C(C=C1N)C(=O)O)O

InChI

InChI=1S/C22H29NO5.C7H7NO3/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;8-4-1-2-6(9)5(3-4)7(10)11/h8-14H,7,15H2,1-6H3;1-3,9H,8H2,(H,10,11)