6-[[(E)-3-(1H-indol-3-yl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-[[(E)-3-(1H-indol-3-yl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-3-(1H-indol-3-yl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-3-(1H-indol-3-yl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-3-(1H-indol-3-yl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-3-(1H-indol-3-yl)acryloyl]amino]hexanoic acid Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C=CC(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C17H20N2O3/c20-16(18-11-5-1-2-8-17(21)22)10-9-13-12-19-15-7-4-3-6-14(13)15/h3-4,6-7,9-10,12,19H,1-2,5,8,11H2,(H,18,20)(H,21,22)/b10-9+