methyl (E,3S)-3-pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate

Systemtic Name: methyl (E,3S)-3-pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate Openeye Name: methyl (E,3S)-3-pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate CAS Name: (E,3S)-3-(5-pyrimidinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-4-nonenoic acid methyl ester IUPAC Name: methyl (E,3S)-3-pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate Traditional Name: (E,3S)-3-(5-pyrimidyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoic acid methyl ester Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C=CCCCCC1=NC2=C(CCCN2)C=C1)C3=CN=CN=C3

Isomeric SMILES

COC(=O)C[C@@H](/C=C/CCCCC1=NC2=C(CCCN2)C=C1)C3=CN=CN=C3

InChI

InChI=1S/C22H28N4O2/c1-28-21(27)13-18(19-14-23-16-24-15-19)7-4-2-3-5-9-20-11-10-17-8-6-12-25-22(17)26-20/h4,7,10-11,14-16,18H,2-3,5-6,8-9,12-13H2,1H3,(H,25,26)/b7-4+/t18-/m1/s1