[2-azanyl-1-[4-(4-methoxyphenyl)carbonyloxy-3-oxidanyl-phenyl]-3,3-dimethyl-butyl] pyridine-3-carboxylate

Systemtic Name: [2-azanyl-1-[4-(4-methoxyphenyl)carbonyloxy-3-oxidanyl-phenyl]-3,3-dimethyl-butyl] pyridine-3-carboxylate Openeye Name: [2-amino-1-[3-hydroxy-4-(4-methoxybenzoyl)oxy-phenyl]-3,3-dimethyl-butyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-amino-1-[3-hydroxy-4-[(4-methoxyphenyl)-oxomethoxy]phenyl]-3,3-dimethylbutyl] ester IUPAC Name: [2-amino-1-[3-hydroxy-4-(4-methoxybenzoyl)oxyphenyl]-3,3-dimethylbutyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-amino-1-(3-hydroxy-4-p-anisoyloxy-phenyl)-3,3-dimethyl-butyl] ester Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OC)O)OC(=O)C3=CN=CC=C3)N

Isomeric SMILES

CC(C)(C)C(C(C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OC)O)OC(=O)C3=CN=CC=C3)N

InChI

InChI=1S/C26H28N2O6/c1-26(2,3)23(27)22(34-25(31)18-6-5-13-28-15-18)17-9-12-21(20(29)14-17)33-24(30)16-7-10-19(32-4)11-8-16/h5-15,22-23,29H,27H2,1-4H3