4-aminocarbonylbenzene-1,3-dicarboxylic acid; 1-phenylethylbenzene

Systemtic Name: 4-aminocarbonylbenzene-1,3-dicarboxylic acid; 1-phenylethylbenzene Openeye Name: 4-carbamoylbenzene-1,3-dicarboxylic acid; 1-phenylethylbenzene CAS Name: 4-carbamoylbenzene-1,3-dicarboxylic acid; 1-phenylethylbenzene IUPAC Name: 4-carbamoylbenzene-1,3-dicarboxylic acid; 1-phenylethylbenzene Traditional Name: 4-carbamoylisophthalic acid; 1-phenylethylbenzene Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)N

InChI

InChI=1S/C14H14.C9H7NO5/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h2-12H,1H3;1-3H,(H2,10,11)(H,12,13)(H,14,15)