tert-butyl 6-[3-[4-(5-pentylpyridin-2-yl)phenyl]prop-2-enoylamino]hexanoate

Systemtic Name: tert-butyl 6-[3-[4-(5-pentylpyridin-2-yl)phenyl]prop-2-enoylamino]hexanoate Openeye Name: tert-butyl 6-[3-[4-(5-pentyl-2-pyridyl)phenyl]prop-2-enoylamino]hexanoate CAS Name: 6-[[1-oxo-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[3-[4-(5-pentylpyridin-2-yl)phenyl]prop-2-enoylamino]hexanoate Traditional Name: 6-[[3-[4-(5-amyl-2-pyridyl)phenyl]acryloyl]amino]hexanoic acid tert-butyl ester Formula: C29H40N2O3 MolecularWeight: 464.6395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C=CC(=O)NCCCCCC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C=CC(=O)NCCCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C29H40N2O3/c1-5-6-8-11-24-15-19-26(31-22-24)25-17-13-23(14-18-25)16-20-27(32)30-21-10-7-9-12-28(33)34-29(2,3)4/h13-20,22H,5-12,21H2,1-4H3,(H,30,32)