4-[(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(3-chloro-5-ethoxy-4-propoxy-benzoyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[(3-chloro-5-ethoxy-4-propoxyphenyl)-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(3-chloro-5-ethoxy-4-propoxy-benzoyl)amino]-3-methyl-benzoic acid Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C=C(C=C2)C(=O)O)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C=C(C=C2)C(=O)O)C)OCC

InChI

InChI=1S/C20H22ClNO5/c1-4-8-27-18-15(21)10-14(11-17(18)26-5-2)19(23)22-16-7-6-13(20(24)25)9-12(16)3/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,23)(H,24,25)