4-aminocarbonylbenzene-1,3-dicarboxylic acid; 1-butyl-4-methyl-benzene

Systemtic Name: 4-aminocarbonylbenzene-1,3-dicarboxylic acid; 1-butyl-4-methyl-benzene Openeye Name: 1-butyl-4-methyl-benzene; 4-carbamoylbenzene-1,3-dicarboxylic acid CAS Name: 1-butyl-4-methylbenzene; 4-carbamoylbenzene-1,3-dicarboxylic acid IUPAC Name: 1-butyl-4-methylbenzene; 4-carbamoylbenzene-1,3-dicarboxylic acid Traditional Name: 1-butyl-4-methyl-benzene; 4-carbamoylisophthalic acid Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)N

InChI

InChI=1S/C11H16.C9H7NO5/c1-3-4-5-11-8-6-10(2)7-9-11;10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h6-9H,3-5H2,1-2H3;1-3H,(H2,10,11)(H,12,13)(H,14,15)