4-[3-(3,5-dimethyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethyloxy)phenyl]benzoic acid

Systemtic Name: 4-[3-(3,5-dimethyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethyloxy)phenyl]benzoic acid Openeye Name: 4-[3-(3,5-dimethyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid CAS Name: 4-[3-[3,5-dimethyl-4-(1-pyrrolidinyl)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid IUPAC Name: 4-[3-(3,5-dimethyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid Traditional Name: 4-[3-(3,5-dimethyl-4-pyrrolidino-phenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2CCCC2)C)C3=C(C=CC(=C3)C4=CC=C(C=C4)C(=O)O)OCCO

Isomeric SMILES

CC1=CC(=CC(=C1N2CCCC2)C)C3=C(C=CC(=C3)C4=CC=C(C=C4)C(=O)O)OCCO

InChI

InChI=1S/C27H29NO4/c1-18-15-23(16-19(2)26(18)28-11-3-4-12-28)24-17-22(9-10-25(24)32-14-13-29)20-5-7-21(8-6-20)27(30)31/h5-10,15-17,29H,3-4,11-14H2,1-2H3,(H,30,31)