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

Systemtic Name: ethyl (E,3S)-3-pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2/c1-2-29-22(28)14-19(20-15-24-17-25-16-20)8-5-3-4-6-10-21-12-11-18-9-7-13-26-23(18)27-21/h5,8,11-12,15-17,19H,2-4,6-7,9-10,13-14H2,1H3,(H,26,27)/b8-5+/t19-/m1/s1