(E)-3-[1-(3-methoxy-3-oxidanylidene-propyl)-3-(pyridin-3-ylmethyl)indol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(3-methoxy-3-oxidanylidene-propyl)-3-(pyridin-3-ylmethyl)indol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(3-methoxy-3-oxo-propyl)-3-(3-pyridylmethyl)indol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(3-methoxy-3-oxopropyl)-3-(3-pyridinylmethyl)-4-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(3-methoxy-3-oxopropyl)-3-(pyridin-3-ylmethyl)indol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(3-keto-3-methoxy-propyl)-3-(3-pyridylmethyl)indol-4-yl]acrylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=C(C2=C(C=CC=C21)C=CC(=O)O)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)CCN1C=C(C2=C(C=CC=C21)/C=C/C(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-27-20(26)9-11-23-14-17(12-15-4-3-10-22-13-15)21-16(7-8-19(24)25)5-2-6-18(21)23/h2-8,10,13-14H,9,11-12H2,1H3,(H,24,25)/b8-7+