(E)-2-[3-[3-(1H-indol-3-yl)propanoyl-methyl-amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-2-[3-[3-(1H-indol-3-yl)propanoyl-methyl-amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[3-[3-(1H-indol-3-yl)propanoyl-methyl-amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[3-[[3-(1H-indol-3-yl)-1-oxopropyl]-methylamino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[3-[3-(1H-indol-3-yl)propanoyl-methylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[3-[3-(1H-indol-3-yl)propanoyl-methyl-amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC(=C1)C(CCC=CC2=CN=CC=C2)C(=O)O)C(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

CN(C1=CC=CC(=C1)C(CC/C=C/C2=CN=CC=C2)C(=O)O)C(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C29H29N3O3/c1-32(28(33)16-15-23-20-31-27-14-5-4-12-25(23)27)24-11-6-10-22(18-24)26(29(34)35)13-3-2-8-21-9-7-17-30-19-21/h2,4-12,14,17-20,26,31H,3,13,15-16H2,1H3,(H,34,35)/b8-2+