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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C(=CC=C2)C(=O)O)CN(C)C(=O)C=CC3=CN=C(C=C3)N

Isomeric SMILES

CN1C=C(C2=C1C(=CC=C2)C(=O)O)CN(C)C(=O)/C=C/C3=CN=C(C=C3)N

InChI

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