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

Systemtic Name: 4-[2-[3-azanyl-1-(3-cyclopentyloxy-4-methoxy-phenyl)cyclobutyl]ethynyl]benzoic acid Openeye Name: 4-[2-[3-amino-1-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclobutyl]ethynyl]benzoic acid CAS Name: 4-[2-[3-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)cyclobutyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[3-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)cyclobutyl]ethynyl]benzoic acid Traditional Name: 4-[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=C(C=C3)C(=O)O)OC4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO4/c1-29-22-11-10-19(14-23(22)30-21-4-2-3-5-21)25(15-20(26)16-25)13-12-17-6-8-18(9-7-17)24(27)28/h6-11,14,20-21H,2-5,15-16,26H2,1H3,(H,27,28)