2-[[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)acryloyl]amino]benzoic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H17N3O3/c1-2-13-6-5-8-16-15(12-23-19(13)16)10-14(11-22)20(25)24-18-9-4-3-7-17(18)21(26)27/h3-10,12,23H,2H2,1H3,(H,24,25)(H,26,27)/b14-10+