[1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-piperidyl]-(3-isopropoxyphenyl)methanone CAS Name: [1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-piperidinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [1-[4-(4-hydroxybut-1-ynyl)benzyl]-3-piperidyl]-(3-isopropoxyphenyl)methanone Formula: C26H31NO3 MolecularWeight: 405.52924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)C#CCCO

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)C#CCCO

InChI

InChI=1S/C26H31NO3/c1-20(2)30-25-10-5-8-23(17-25)26(29)24-9-6-15-27(19-24)18-22-13-11-21(12-14-22)7-3-4-16-28/h5,8,10-14,17,20,24,28H,4,6,9,15-16,18-19H2,1-2H3