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

Systemtic Name: 4-[3-(3-ethyl-5-propan-2-yl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethyloxy)phenyl]benzoic acid Openeye Name: 4-[3-(3-ethyl-5-isopropyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid CAS Name: 4-[3-[3-ethyl-5-propan-2-yl-4-(1-pyrrolidinyl)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid IUPAC Name: 4-[3-(3-ethyl-5-propan-2-yl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid Traditional Name: 4-[3-(3-ethyl-5-isopropyl-4-pyrrolidino-phenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid Formula: C30H35NO4 MolecularWeight: 473.6032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)C(C)C)N4CCCC4

Isomeric SMILES

CCC1=C(C(=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)C(C)C)N4CCCC4

InChI

InChI=1S/C30H35NO4/c1-4-21-17-25(19-26(20(2)3)29(21)31-13-5-6-14-31)27-18-24(11-12-28(27)35-16-15-32)22-7-9-23(10-8-22)30(33)34/h7-12,17-20,32H,4-6,13-16H2,1-3H3,(H,33,34)