benzene; 4-methylbenzoic acid; N-phenethyloxymethanamide

Systemtic Name: benzene; 4-methylbenzoic acid; N-phenethyloxymethanamide Openeye Name: benzene; 4-methylbenzoic acid; N-phenethyloxyformamide CAS Name: benzene; 4-methylbenzoic acid; N-phenethyloxyformamide IUPAC Name: benzene; 4-methylbenzoic acid; N-phenethyloxyformamide Traditional Name: benzene; N-phenethyloxyformamide; p-toluic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)O.C1=CC=CC=C1.C1=CC=C(C=C1)CCONC=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O.C1=CC=CC=C1.C1=CC=C(C=C1)CCONC=O

InChI

InChI=1S/C9H11NO2.C8H8O2.C6H6/c11-8-10-12-7-6-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)8(9)10;1-2-4-6-5-3-1/h1-5,8H,6-7H2,(H,10,11);2-5H,1H3,(H,9,10);1-6H