3-(1,3-dioxolan-2-yl)propyl (E)-3-[6-pentyl-2-(phenylmethoxycarbonylamino)cyclohex-3-en-1-yl]prop-2-enoate

Systemtic Name: 3-(1,3-dioxolan-2-yl)propyl (E)-3-[6-pentyl-2-(phenylmethoxycarbonylamino)cyclohex-3-en-1-yl]prop-2-enoate Openeye Name: 3-(1,3-dioxolan-2-yl)propyl (E)-3-[2-(benzyloxycarbonylamino)-6-pentyl-cyclohex-3-en-1-yl]prop-2-enoate CAS Name: (E)-3-[6-pentyl-2-(phenylmethoxycarbonylamino)-1-cyclohex-3-enyl]-2-propenoic acid 3-(1,3-dioxolan-2-yl)propyl ester IUPAC Name: 3-(1,3-dioxolan-2-yl)propyl (E)-3-[6-pentyl-2-(phenylmethoxycarbonylamino)cyclohex-3-en-1-yl]prop-2-enoate Traditional Name: (E)-3-[6-amyl-2-(benzyloxycarbonylamino)cyclohex-3-en-1-yl]acrylic acid 3-(1,3-dioxolan-2-yl)propyl ester Formula: C28H39NO6 MolecularWeight: 485.61236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC=CC(C1C=CC(=O)OCCCC2OCCO2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCC1CC=CC(C1/C=C/C(=O)OCCCC2OCCO2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H39NO6/c1-2-3-5-12-23-13-8-14-25(29-28(31)35-21-22-10-6-4-7-11-22)24(23)16-17-26(30)32-18-9-15-27-33-19-20-34-27/h4,6-8,10-11,14,16-17,23-25,27H,2-3,5,9,12-13,15,18-21H2,1H3,(H,29,31)/b17-16+