4-[4-(2-dimethylaminoethyl)-2-methoxy-phenyl]benzoic acid

Systemtic Name: 4-[4-(2-dimethylaminoethyl)-2-methoxy-phenyl]benzoic acid Openeye Name: 4-[4-(2-dimethylaminoethyl)-2-methoxy-phenyl]benzoic acid CAS Name: 4-[4-(2-dimethylaminoethyl)-2-methoxyphenyl]benzoic acid IUPAC Name: 4-[4-(2-dimethylaminoethyl)-2-methoxyphenyl]benzoic acid Traditional Name: 4-[4-(2-dimethylaminoethyl)-2-methoxy-phenyl]benzoic acid Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

CN(C)CCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C18H21NO3/c1-19(2)11-10-13-4-9-16(17(12-13)22-3)14-5-7-15(8-6-14)18(20)21/h4-9,12H,10-11H2,1-3H3,(H,20,21)