2-acetamido-6-anthracen-9-yl-hex-5-ynoic acid

Systemtic Name: 2-acetamido-6-anthracen-9-yl-hex-5-ynoic acid Openeye Name: 2-acetamido-6-(9-anthryl)hex-5-ynoic acid CAS Name: 2-acetamido-6-(9-anthracenyl)-5-hexynoic acid IUPAC Name: 2-acetamido-6-anthracen-9-ylhex-5-ynoic acid Traditional Name: 2-acetamido-6-(9-anthryl)hex-5-ynoic acid Formula: C22H19NO3 MolecularWeight: 345.39116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC#CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)O

Isomeric SMILES

CC(=O)NC(CCC#CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)O

InChI

InChI=1S/C22H19NO3/c1-15(24)23-21(22(25)26)13-7-6-12-20-18-10-4-2-8-16(18)14-17-9-3-5-11-19(17)20/h2-5,8-11,14,21H,7,13H2,1H3,(H,23,24)(H,25,26)