(phenylmethyl) 2-[2-cyclohexyl-2-(7-oxidanylheptanoylamino)ethanoyl]oxy-3-(3-hydroxyphenyl)propanoate

Systemtic Name: (phenylmethyl) 2-[2-cyclohexyl-2-(7-oxidanylheptanoylamino)ethanoyl]oxy-3-(3-hydroxyphenyl)propanoate Openeye Name: benzyl 2-[2-cyclohexyl-2-(7-hydroxyheptanoylamino)acetyl]oxy-3-(3-hydroxyphenyl)propanoate CAS Name: 2-[2-cyclohexyl-2-[(7-hydroxy-1-oxoheptyl)amino]-1-oxoethoxy]-3-(3-hydroxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-cyclohexyl-2-(7-hydroxyheptanoylamino)acetyl]oxy-3-(3-hydroxyphenyl)propanoate Traditional Name: 2-[2-cyclohexyl-2-(7-hydroxyheptanoylamino)acetyl]oxy-3-(3-hydroxyphenyl)propionic acid benzyl ester Formula: C31H41NO7 MolecularWeight: 539.65974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)OC(CC2=CC(=CC=C2)O)C(=O)OCC3=CC=CC=C3)NC(=O)CCCCCCO

Isomeric SMILES

C1CCC(CC1)C(C(=O)OC(CC2=CC(=CC=C2)O)C(=O)OCC3=CC=CC=C3)NC(=O)CCCCCCO

InChI

InChI=1S/C31H41NO7/c33-19-10-2-1-9-18-28(35)32-29(25-15-7-4-8-16-25)31(37)39-27(21-24-14-11-17-26(34)20-24)30(36)38-22-23-12-5-3-6-13-23/h3,5-6,11-14,17,20,25,27,29,33-34H,1-2,4,7-10,15-16,18-19,21-22H2,(H,32,35)