methyl (E)-6-[4-[2-(2-phenylethanoylamino)ethyl]phenyl]-6-pyridin-3-yl-hex-5-enoate

Systemtic Name: methyl (E)-6-[4-[2-(2-phenylethanoylamino)ethyl]phenyl]-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (E)-6-[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]-6-(3-pyridyl)hex-5-enoate CAS Name: (E)-6-[4-[2-[(1-oxo-2-phenylethyl)amino]ethyl]phenyl]-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoate Traditional Name: (E)-6-[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]-6-(3-pyridyl)hex-5-enoic acid methyl ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=C(C1=CC=C(C=C1)CCNC(=O)CC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

COC(=O)CCC/C=C(\C1=CC=C(C=C1)CCNC(=O)CC2=CC=CC=C2)/C3=CN=CC=C3

InChI

InChI=1S/C28H30N2O3/c1-33-28(32)12-6-5-11-26(25-10-7-18-29-21-25)24-15-13-22(14-16-24)17-19-30-27(31)20-23-8-3-2-4-9-23/h2-4,7-11,13-16,18,21H,5-6,12,17,19-20H2,1H3,(H,30,31)/b26-11+