2-(2-azanylethyl)-2-[6-(4-phenylbutoxy)hex-4-ynyl]cyclohexa-3,5-diene-1,1,3-triol

Systemtic Name: 2-(2-azanylethyl)-2-[6-(4-phenylbutoxy)hex-4-ynyl]cyclohexa-3,5-diene-1,1,3-triol Openeye Name: 2-(2-aminoethyl)-2-[6-(4-phenylbutoxy)hex-4-ynyl]cyclohexa-3,5-diene-1,1,3-triol CAS Name: 2-(2-aminoethyl)-2-[6-(4-phenylbutoxy)hex-4-ynyl]cyclohexa-3,5-diene-1,1,3-triol IUPAC Name: 2-(2-aminoethyl)-2-[6-(4-phenylbutoxy)hex-4-ynyl]cyclohexa-3,5-diene-1,1,3-triol Traditional Name: 2-(2-aminoethyl)-2-[6-(4-phenylbutoxy)hex-4-ynyl]cyclohexa-3,5-diene-1,1,3-triol Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOCC#CCCCC2(C(=CC=CC2(O)O)O)CCN

Isomeric SMILES

C1=CC=C(C=C1)CCCCOCC#CCCCC2(C(=CC=CC2(O)O)O)CCN

InChI

InChI=1S/C24H33NO4/c25-18-17-23(22(26)14-10-16-24(23,27)28)15-7-1-2-8-19-29-20-9-6-13-21-11-4-3-5-12-21/h3-5,10-12,14,16,26-28H,1,6-7,9,13,15,17-20,25H2