2-[2-chloranyl-4-methoxy-3-methyl-5-[(4-propoxyphenyl)carbonylamino]phenyl]benzoic acid

Systemtic Name: 2-[2-chloranyl-4-methoxy-3-methyl-5-[(4-propoxyphenyl)carbonylamino]phenyl]benzoic acid Openeye Name: 2-[2-chloro-4-methoxy-3-methyl-5-[(4-propoxybenzoyl)amino]phenyl]benzoic acid CAS Name: 2-[2-chloro-4-methoxy-3-methyl-5-[[oxo-(4-propoxyphenyl)methyl]amino]phenyl]benzoic acid IUPAC Name: 2-[2-chloro-4-methoxy-3-methyl-5-[(4-propoxybenzoyl)amino]phenyl]benzoic acid Traditional Name: 2-[2-chloro-4-methoxy-3-methyl-5-[(4-propoxybenzoyl)amino]phenyl]benzoic acid Formula: C25H24ClNO5 MolecularWeight: 453.91476

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(C(=C2)C3=CC=CC=C3C(=O)O)Cl)C)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(C(=C2)C3=CC=CC=C3C(=O)O)Cl)C)OC

InChI

InChI=1S/C25H24ClNO5/c1-4-13-32-17-11-9-16(10-12-17)24(28)27-21-14-20(22(26)15(2)23(21)31-3)18-7-5-6-8-19(18)25(29)30/h5-12,14H,4,13H2,1-3H3,(H,27,28)(H,29,30)