3-[1-(3-methoxy-3-oxidanylidene-propyl)-3-(pyridin-3-ylmethyl)indol-5-yl]propanoic acid

Systemtic Name: 3-[1-(3-methoxy-3-oxidanylidene-propyl)-3-(pyridin-3-ylmethyl)indol-5-yl]propanoic acid Openeye Name: 3-[1-(3-methoxy-3-oxo-propyl)-3-(3-pyridylmethyl)indol-5-yl]propanoic acid CAS Name: 3-[1-(3-methoxy-3-oxopropyl)-3-(3-pyridinylmethyl)-5-indolyl]propanoic acid IUPAC Name: 3-[1-(3-methoxy-3-oxopropyl)-3-(pyridin-3-ylmethyl)indol-5-yl]propanoic acid Traditional Name: 3-[1-(3-keto-3-methoxy-propyl)-3-(3-pyridylmethyl)indol-5-yl]propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=C(C2=C1C=CC(=C2)CCC(=O)O)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)CCN1C=C(C2=C1C=CC(=C2)CCC(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C21H22N2O4/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/h2-4,6,9,12-14H,5,7-8,10-11H2,1H3,(H,24,25)