4-[(4-hexoxyphenyl)carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(4-hexoxyphenyl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(4-hexoxybenzoyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[(4-hexoxyphenyl)-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(4-hexoxybenzoyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(4-hexoxybenzoyl)amino]-3-methyl-benzoic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C21H25NO4/c1-3-4-5-6-13-26-18-10-7-16(8-11-18)20(23)22-19-12-9-17(21(24)25)14-15(19)2/h7-12,14H,3-6,13H2,1-2H3,(H,22,23)(H,24,25)