N1,N4-bis(2,4-dimethylphenyl)benzene-1,4-dicarboxamide hydrate

Systemtic Name: N1,N4-bis(2,4-dimethylphenyl)benzene-1,4-dicarboxamide hydrate Openeye Name: N1,N4-bis(2,4-dimethylphenyl)terephthalamide hydrate CAS Name: N1,N4-bis(2,4-dimethylphenyl)benzene-1,4-dicarboxamide hydrate IUPAC Name: 1-N,4-N-bis(2,4-dimethylphenyl)benzene-1,4-dicarboxamide hydrate Traditional Name: N,N'-bis(2,4-dimethylphenyl)terephthalamide hydrate Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C)C)C.O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C)C)C.O

InChI

InChI=1S/C24H24N2O2.H2O/c1-15-5-11-21(17(3)13-15)25-23(27)19-7-9-20(10-8-19)24(28)26-22-12-6-16(2)14-18(22)4;/h5-14H,1-4H3,(H,25,27)(H,26,28);1H2