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

Systemtic Name: ethyl (E,3S)-3-quinolin-3-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate Openeye Name: ethyl (E,3S)-3-(3-quinolyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate CAS Name: (E,3S)-3-(3-quinolinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-4-nonenoic acid ethyl ester IUPAC Name: ethyl (E,3S)-3-quinolin-3-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate Traditional Name: (E,3S)-3-(3-quinolyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoic acid ethyl ester Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C=CCCCCC1=NC2=C(CCCN2)C=C1)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CCOC(=O)C[C@@H](/C=C/CCCCC1=NC2=C(CCCN2)C=C1)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C28H33N3O2/c1-2-33-27(32)19-22(24-18-23-11-7-8-14-26(23)30-20-24)10-5-3-4-6-13-25-16-15-21-12-9-17-29-28(21)31-25/h5,7-8,10-11,14-16,18,20,22H,2-4,6,9,12-13,17,19H2,1H3,(H,29,31)/b10-5+/t22-/m1/s1