6-[[4-[4-(3,3-dimethylbutylcarbamoyl)phenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[[4-[4-(3,3-dimethylbutylcarbamoyl)phenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid Openeye Name: 6-[[4-[4-(3,3-dimethylbutylcarbamoyl)phenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid CAS Name: 6-[[4-[[4-[(3,3-dimethylbutylamino)-oxomethyl]phenoxy]-oxomethyl]-1-piperazinyl]methyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[[4-[4-(3,3-dimethylbutylcarbamoyl)phenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid Traditional Name: 6-[[4-[4-(3,3-dimethylbutylcarbamoyl)phenoxy]carbonylpiperazino]methyl]nicotinic acid Formula: C25H32N4O5 MolecularWeight: 468.54538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)CC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H32N4O5/c1-25(2,3)10-11-26-22(30)18-5-8-21(9-6-18)34-24(33)29-14-12-28(13-15-29)17-20-7-4-19(16-27-20)23(31)32/h4-9,16H,10-15,17H2,1-3H3,(H,26,30)(H,31,32)