ethyl 6-[[2-heptoxy-3,5-bis(phenylmethoxy)cyclopentyl]-methyl-amino]-2-methyl-hexanoate

Systemtic Name: ethyl 6-[[2-heptoxy-3,5-bis(phenylmethoxy)cyclopentyl]-methyl-amino]-2-methyl-hexanoate Openeye Name: ethyl 6-[(3,5-dibenzyloxy-2-heptoxy-cyclopentyl)-methyl-amino]-2-methyl-hexanoate CAS Name: 6-[[2-heptoxy-3,5-bis(phenylmethoxy)cyclopentyl]-methylamino]-2-methylhexanoic acid ethyl ester IUPAC Name: ethyl 6-[[2-heptoxy-3,5-bis(phenylmethoxy)cyclopentyl]-methylamino]-2-methylhexanoate Traditional Name: 6-[(3,5-dibenzoxy-2-heptoxy-cyclopentyl)-methyl-amino]-2-methyl-hexanoic acid ethyl ester Formula: C36H55NO5 MolecularWeight: 581.8256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1C(CC(C1N(C)CCCCC(C)C(=O)OCC)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1C(CC(C1N(C)CCCCC(C)C(=O)OCC)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C36H55NO5/c1-5-7-8-9-18-25-40-35-33(42-28-31-22-14-11-15-23-31)26-32(41-27-30-20-12-10-13-21-30)34(35)37(4)24-17-16-19-29(3)36(38)39-6-2/h10-15,20-23,29,32-35H,5-9,16-19,24-28H2,1-4H3