4-butan-2-yl-5-[di(butan-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-butan-2-yl-5-[di(butan-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-(disec-butylcarbamoyl)-4-sec-butyl-benzene-1,3-dicarboxylic acid CAS Name: 4-butan-2-yl-5-[[di(butan-2-yl)amino]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-butan-2-yl-5-[di(butan-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-(disec-butylcarbamoyl)-4-sec-butyl-isophthalic acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)N(C(C)CC)C(C)CC

Isomeric SMILES

CCC(C)C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)N(C(C)CC)C(C)CC

InChI

InChI=1S/C21H31NO5/c1-7-12(4)18-16(10-15(20(24)25)11-17(18)21(26)27)19(23)22(13(5)8-2)14(6)9-3/h10-14H,7-9H2,1-6H3,(H,24,25)(H,26,27)