N-(7-azanylheptyl)-1-[2-(4-phenylmethoxyphenyl)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(7-azanylheptyl)-1-[2-(4-phenylmethoxyphenyl)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(7-aminoheptyl)-1-[2-(4-benzyloxyphenyl)acetyl]pyrrolidine-2-carboxamide CAS Name: N-(7-aminoheptyl)-1-[1-oxo-2-(4-phenylmethoxyphenyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(7-aminoheptyl)-1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-(7-aminoheptyl)-1-[2-(4-benzoxyphenyl)acetyl]pyrrolidine-2-carboxamide Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)NCCCCCCCN

Isomeric SMILES

C1CC(N(C1)C(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)NCCCCCCCN

InChI

InChI=1S/C27H37N3O3/c28-17-7-2-1-3-8-18-29-27(32)25-12-9-19-30(25)26(31)20-22-13-15-24(16-14-22)33-21-23-10-5-4-6-11-23/h4-6,10-11,13-16,25H,1-3,7-9,12,17-21,28H2,(H,29,32)