2-[6-but-3-ynoxyhexyl-(2-oxidanyl-1-phenyl-ethyl)amino]-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol

Systemtic Name: 2-[6-but-3-ynoxyhexyl-(2-oxidanyl-1-phenyl-ethyl)amino]-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol Openeye Name: 2-[6-but-3-ynoxyhexyl-(2-hydroxy-1-phenyl-ethyl)amino]-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol CAS Name: 2-[6-but-3-ynoxyhexyl-(2-hydroxy-1-phenylethyl)amino]-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol IUPAC Name: 2-[6-but-3-ynoxyhexyl-(2-hydroxy-1-phenylethyl)amino]-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol Traditional Name: 2-[6-but-3-ynoxyhexyl-(2-hydroxy-1-phenyl-ethyl)amino]-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol Formula: C30H41NO5 MolecularWeight: 495.65024

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC2=C(O1)C=CC(=C2)C(CN(CCCCCCOCCC#C)C(CO)C3=CC=CC=C3)O)C

Isomeric SMILES

CC1(OCC2=C(O1)C=CC(=C2)C(CN(CCCCCCOCCC#C)C(CO)C3=CC=CC=C3)O)C

InChI

InChI=1S/C30H41NO5/c1-4-5-18-34-19-12-7-6-11-17-31(27(22-32)24-13-9-8-10-14-24)21-28(33)25-15-16-29-26(20-25)23-35-30(2,3)36-29/h1,8-10,13-16,20,27-28,32-33H,5-7,11-12,17-19,21-23H2,2-3H3