ethyl (Z)-2-(1-oxidanidylpyridin-1-ium-4-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-(1-oxidanidylpyridin-1-ium-4-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enoate Openeye Name: ethyl (Z)-3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)prop-2-enoate CAS Name: (Z)-2-(1-oxido-4-pyridin-1-iumyl)-3-[3-(6-propan-2-yl-8-quinolinyl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-(1-oxidopyridin-1-ium-4-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enoate Traditional Name: (Z)-3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)acrylic acid ethyl ester Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)C)C=CC=N3)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)C)C=CC=N3)/C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C28H26N2O3/c1-4-33-28(31)26(21-10-13-30(32)14-11-21)16-20-7-5-8-22(15-20)25-18-24(19(2)3)17-23-9-6-12-29-27(23)25/h5-19H,4H2,1-3H3/b26-16-