3-[1-[[(E)-3-(6-azanylpyridin-3-yl)prop-2-enoyl]-methyl-amino]ethyl]-1H-indole-7-carboxylic acid

Systemtic Name: 3-[1-[[(E)-3-(6-azanylpyridin-3-yl)prop-2-enoyl]-methyl-amino]ethyl]-1H-indole-7-carboxylic acid Openeye Name: 3-[1-[[(E)-3-(6-amino-3-pyridyl)prop-2-enoyl]-methyl-amino]ethyl]-1H-indole-7-carboxylic acid CAS Name: 3-[1-[[(E)-3-(6-amino-3-pyridinyl)-1-oxoprop-2-enyl]-methylamino]ethyl]-1H-indole-7-carboxylic acid IUPAC Name: 3-[1-[[(E)-3-(6-aminopyridin-3-yl)prop-2-enoyl]-methylamino]ethyl]-1H-indole-7-carboxylic acid Traditional Name: 3-[1-[[(E)-3-(6-amino-3-pyridyl)acryloyl]-methyl-amino]ethyl]-1H-indole-7-carboxylic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=C1C=CC=C2C(=O)O)N(C)C(=O)C=CC3=CN=C(C=C3)N

Isomeric SMILES

CC(C1=CNC2=C1C=CC=C2C(=O)O)N(C)C(=O)/C=C/C3=CN=C(C=C3)N

InChI

InChI=1S/C20H20N4O3/c1-12(16-11-23-19-14(16)4-3-5-15(19)20(26)27)24(2)18(25)9-7-13-6-8-17(21)22-10-13/h3-12,23H,1-2H3,(H2,21,22)(H,26,27)/b9-7+