3-[2-[3-azanyl-1-(3-cyclopentyloxy-4-methoxy-phenyl)cyclobutyl]ethynyl]benzoic acid

Systemtic Name: 3-[2-[3-azanyl-1-(3-cyclopentyloxy-4-methoxy-phenyl)cyclobutyl]ethynyl]benzoic acid Openeye Name: 3-[2-[3-amino-1-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclobutyl]ethynyl]benzoic acid CAS Name: 3-[2-[3-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)cyclobutyl]ethynyl]benzoic acid IUPAC Name: 3-[2-[3-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)cyclobutyl]ethynyl]benzoic acid Traditional Name: 3-[2-[3-amino-1-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclobutyl]ethynyl]benzoic acid Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CC(C2)N)C#CC3=CC(=CC=C3)C(=O)O)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CC(C2)N)C#CC3=CC(=CC=C3)C(=O)O)OC4CCCC4

InChI

InChI=1S/C25H27NO4/c1-29-22-10-9-19(14-23(22)30-21-7-2-3-8-21)25(15-20(26)16-25)12-11-17-5-4-6-18(13-17)24(27)28/h4-6,9-10,13-14,20-21H,2-3,7-8,15-16,26H2,1H3,(H,27,28)