5-chloranyl-2-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid

Systemtic Name: 5-chloranyl-2-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid Openeye Name: 5-chloro-2-[4-(morpholinomethyl)phenyl]benzoic acid CAS Name: 5-chloro-2-[4-(4-morpholinylmethyl)phenyl]benzoic acid IUPAC Name: 5-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid Traditional Name: 5-chloro-2-[4-(morpholinomethyl)phenyl]benzoic acid Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)C3=C(C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)C3=C(C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H18ClNO3/c19-15-5-6-16(17(11-15)18(21)22)14-3-1-13(2-4-14)12-20-7-9-23-10-8-20/h1-6,11H,7-10,12H2,(H,21,22)