3-[[3-(1-butan-2-ylindol-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(1-butan-2-ylindol-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(1-sec-butylindol-3-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(1-butan-2-yl-3-indolyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(1-butan-2-ylindol-3-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(1-sec-butylindol-3-yl)acryloyl]amino]benzoic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCC(C)N1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H21N3O3/c1-3-15(2)26-14-18(20-9-4-5-10-21(20)26)11-17(13-24)22(27)25-19-8-6-7-16(12-19)23(28)29/h4-12,14-15H,3H2,1-2H3,(H,25,27)(H,28,29)