2-heptan-4-yl-3-(phenylmethyl)pyrrolidine

Systemtic Name: 2-heptan-4-yl-3-(phenylmethyl)pyrrolidine Openeye Name: 3-benzyl-2-(1-propylbutyl)pyrrolidine CAS Name: 2-heptan-4-yl-3-(phenylmethyl)pyrrolidine IUPAC Name: 3-benzyl-2-heptan-4-ylpyrrolidine Traditional Name: 3-benzyl-2-(1-propylbutyl)pyrrolidine Formula: C18H29N MolecularWeight: 259.42956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1C(CCN1)CC2=CC=CC=C2

Isomeric SMILES

CCCC(CCC)C1C(CCN1)CC2=CC=CC=C2

InChI

InChI=1S/C18H29N/c1-3-8-16(9-4-2)18-17(12-13-19-18)14-15-10-6-5-7-11-15/h5-7,10-11,16-19H,3-4,8-9,12-14H2,1-2H3