[5-[2-(tert-butylamino)ethanoyl]-2-(4-methylphenyl)carbonyloxy-phenyl] pyridine-3-carboxylate

Systemtic Name: [5-[2-(tert-butylamino)ethanoyl]-2-(4-methylphenyl)carbonyloxy-phenyl] pyridine-3-carboxylate Openeye Name: [5-[2-(tert-butylamino)acetyl]-2-(4-methylbenzoyl)oxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [5-[2-(tert-butylamino)-1-oxoethyl]-2-[(4-methylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: [5-[2-(tert-butylamino)acetyl]-2-(4-methylbenzoyl)oxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [5-[2-(tert-butylamino)acetyl]-2-p-toluoyloxy-phenyl] ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)CNC(C)(C)C)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)CNC(C)(C)C)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C26H26N2O5/c1-17-7-9-18(10-8-17)24(30)32-22-12-11-19(21(29)16-28-26(2,3)4)14-23(22)33-25(31)20-6-5-13-27-15-20/h5-15,28H,16H2,1-4H3