4-[[(1S,5R)-5-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]amino]benzoic acid

Systemtic Name: 4-[[(1S,5R)-5-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]amino]benzoic acid Openeye Name: 4-[[(1S,5R)-5-oct-1-ynyl-4-oxo-cyclopent-2-en-1-yl]amino]benzoic acid CAS Name: 4-[[(1S,5R)-5-oct-1-ynyl-4-oxo-1-cyclopent-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(1S,5R)-5-oct-1-ynyl-4-oxocyclopent-2-en-1-yl]amino]benzoic acid Traditional Name: 4-[[(1S,5R)-4-keto-5-oct-1-ynyl-cyclopent-2-en-1-yl]amino]benzoic acid Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1C(C=CC1=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCC#C[C@@H]1[C@H](C=CC1=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H23NO3/c1-2-3-4-5-6-7-8-17-18(13-14-19(17)22)21-16-11-9-15(10-12-16)20(23)24/h9-14,17-18,21H,2-6H2,1H3,(H,23,24)/t17-,18+/m1/s1