3-[[4-(2-chloranyl-4-methoxy-phenyl)-5-methyl-1,3-thiazol-2-yl]-propyl-amino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[4-(2-chloranyl-4-methoxy-phenyl)-5-methyl-1,3-thiazol-2-yl]-propyl-amino]-4-methoxy-benzoic acid Openeye Name: 3-[[4-(2-chloro-4-methoxy-phenyl)-5-methyl-thiazol-2-yl]-propyl-amino]-4-methoxy-benzoic acid CAS Name: 3-[[4-(2-chloro-4-methoxyphenyl)-5-methyl-2-thiazolyl]-propylamino]-4-methoxybenzoic acid IUPAC Name: 3-[[4-(2-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]-4-methoxybenzoic acid Traditional Name: 3-[[4-(2-chloro-4-methoxy-phenyl)-5-methyl-thiazol-2-yl]-propyl-amino]-4-methoxy-benzoic acid Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=CC(=C1)C(=O)O)OC)C2=NC(=C(S2)C)C3=C(C=C(C=C3)OC)Cl

Isomeric SMILES

CCCN(C1=C(C=CC(=C1)C(=O)O)OC)C2=NC(=C(S2)C)C3=C(C=C(C=C3)OC)Cl

InChI

InChI=1S/C22H23ClN2O4S/c1-5-10-25(18-11-14(21(26)27)6-9-19(18)29-4)22-24-20(13(2)30-22)16-8-7-15(28-3)12-17(16)23/h6-9,11-12H,5,10H2,1-4H3,(H,26,27)