(E)-7-[3-acetyloxy-5-methoxy-2-[methyl-(phenylmethyl)amino]cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[3-acetyloxy-5-methoxy-2-[methyl-(phenylmethyl)amino]cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[3-acetoxy-2-[benzyl(methyl)amino]-5-methoxy-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[3-acetyloxy-5-methoxy-2-[methyl-(phenylmethyl)amino]cyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[3-acetyloxy-2-[benzyl(methyl)amino]-5-methoxycyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[3-acetoxy-2-[benzyl(methyl)amino]-5-methoxy-cyclopentyl]hept-5-enoic acid Formula: C23H33NO5 MolecularWeight: 403.51182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C(C1N(C)CC2=CC=CC=C2)CC=CCCCC(=O)O)OC

Isomeric SMILES

CC(=O)OC1CC(C(C1N(C)CC2=CC=CC=C2)C/C=C/CCCC(=O)O)OC

InChI

InChI=1S/C23H33NO5/c1-17(25)29-21-15-20(28-3)19(13-9-4-5-10-14-22(26)27)23(21)24(2)16-18-11-7-6-8-12-18/h4,6-9,11-12,19-21,23H,5,10,13-16H2,1-3H3,(H,26,27)/b9-4+