(E)-3-[1-(3-methoxy-3-oxidanylidene-propyl)-3-(pyridin-3-ylmethyl)indol-5-yl]prop-2-enoate

Systemtic Name: (E)-3-[1-(3-methoxy-3-oxidanylidene-propyl)-3-(pyridin-3-ylmethyl)indol-5-yl]prop-2-enoate Openeye Name: (E)-3-[1-(3-methoxy-3-oxo-propyl)-3-(3-pyridylmethyl)indol-5-yl]prop-2-enoate CAS Name: (E)-3-[1-(3-methoxy-3-oxopropyl)-3-(3-pyridinylmethyl)-5-indolyl]-2-propenoate IUPAC Name: (E)-3-[1-(3-methoxy-3-oxopropyl)-3-(pyridin-3-ylmethyl)indol-5-yl]prop-2-enoate Traditional Name: (E)-3-[1-(3-keto-3-methoxy-propyl)-3-(3-pyridylmethyl)indol-5-yl]acrylate Formula: C21H19N2O4- MolecularWeight: 363.38656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=C(C2=C1C=CC(=C2)C=CC(=O)[O-])CC3=CN=CC=C3

Isomeric SMILES

COC(=O)CCN1C=C(C2=C1C=CC(=C2)/C=C/C(=O)[O-])CC3=CN=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-27-21(26)8-10-23-14-17(11-16-3-2-9-22-13-16)18-12-15(4-6-19(18)23)5-7-20(24)25/h2-7,9,12-14H,8,10-11H2,1H3,(H,24,25)/p-1/b7-5+