3-[1-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-3-(pyridin-3-ylmethyl)indol-4-yl]propanoic acid

Systemtic Name: 3-[1-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-3-(pyridin-3-ylmethyl)indol-4-yl]propanoic acid Openeye Name: 3-[1-(3-methoxy-3-oxo-propyl)-2-methyl-3-(3-pyridylmethyl)indol-4-yl]propanoic acid CAS Name: 3-[1-(3-methoxy-3-oxopropyl)-2-methyl-3-(3-pyridinylmethyl)-4-indolyl]propanoic acid IUPAC Name: 3-[1-(3-methoxy-3-oxopropyl)-2-methyl-3-(pyridin-3-ylmethyl)indol-4-yl]propanoic acid Traditional Name: 3-[1-(3-keto-3-methoxy-propyl)-2-methyl-3-(3-pyridylmethyl)indol-4-yl]propionic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2N1CCC(=O)OC)CCC(=O)O)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(C2=C(C=CC=C2N1CCC(=O)OC)CCC(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-15-18(13-16-5-4-11-23-14-16)22-17(8-9-20(25)26)6-3-7-19(22)24(15)12-10-21(27)28-2/h3-7,11,14H,8-10,12-13H2,1-2H3,(H,25,26)