1-[3,4-bis(phenylmethoxy)-1-(phenylmethyl)pyrrolidin-2-yl]tridecan-1-one

Systemtic Name: 1-[3,4-bis(phenylmethoxy)-1-(phenylmethyl)pyrrolidin-2-yl]tridecan-1-one Openeye Name: 1-(1-benzyl-3,4-dibenzyloxy-pyrrolidin-2-yl)tridecan-1-one CAS Name: 1-[3,4-bis(phenylmethoxy)-1-(phenylmethyl)-2-pyrrolidinyl]-1-tridecanone IUPAC Name: 1-[1-benzyl-3,4-bis(phenylmethoxy)pyrrolidin-2-yl]tridecan-1-one Traditional Name: 1-(3,4-dibenzoxy-1-benzyl-pyrrolidin-2-yl)tridecan-1-one Formula: C38H51NO3 MolecularWeight: 569.81644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)C1C(C(CN1CC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCC(=O)C1C(C(CN1CC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C38H51NO3/c1-2-3-4-5-6-7-8-9-10-20-27-35(40)37-38(42-31-34-25-18-13-19-26-34)36(41-30-33-23-16-12-17-24-33)29-39(37)28-32-21-14-11-15-22-32/h11-19,21-26,36-38H,2-10,20,27-31H2,1H3