[4-[4-[[3-(tert-butylamino)-4-oxidanyl-cyclopentyl]methyl]phenyl]phenyl] propanoate

Systemtic Name: [4-[4-[[3-(tert-butylamino)-4-oxidanyl-cyclopentyl]methyl]phenyl]phenyl] propanoate Openeye Name: [4-[4-[[3-(tert-butylamino)-4-hydroxy-cyclopentyl]methyl]phenyl]phenyl] propanoate CAS Name: propanoic acid [4-[4-[[3-(tert-butylamino)-4-hydroxycyclopentyl]methyl]phenyl]phenyl] ester IUPAC Name: [4-[4-[[3-(tert-butylamino)-4-hydroxycyclopentyl]methyl]phenyl]phenyl] propanoate Traditional Name: propionic acid [4-[4-[[3-(tert-butylamino)-4-hydroxy-cyclopentyl]methyl]phenyl]phenyl] ester Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)CC3CC(C(C3)O)NC(C)(C)C

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)CC3CC(C(C3)O)NC(C)(C)C

InChI

InChI=1S/C25H33NO3/c1-5-24(28)29-21-12-10-20(11-13-21)19-8-6-17(7-9-19)14-18-15-22(23(27)16-18)26-25(2,3)4/h6-13,18,22-23,26-27H,5,14-16H2,1-4H3