1-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-[(phenylmethyl)amino]cyclopentan-1-ol

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-[(phenylmethyl)amino]cyclopentan-1-ol Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-(benzylamino)cyclopentanol CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-[(phenylmethyl)amino]-1-cyclopentanol IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-(benzylamino)cyclopentan-1-ol Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-(benzylamino)cyclopentanol Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)(C#CC2=CC3=C(C=C2)OCO3)O)NCC4=CC=CC=C4

Isomeric SMILES

C1CC(C(C1)(C#CC2=CC3=C(C=C2)OCO3)O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H21NO3/c23-21(12-10-16-8-9-18-19(13-16)25-15-24-18)11-4-7-20(21)22-14-17-5-2-1-3-6-17/h1-3,5-6,8-9,13,20,22-23H,4,7,11,14-15H2