3-[(6,8-dimethyl-2-oxaspiro[2.5]octa-5,7-dien-1-yl)carbonyl-ethyl-amino]benzoic acid

Systemtic Name: 3-[(6,8-dimethyl-2-oxaspiro[2.5]octa-5,7-dien-1-yl)carbonyl-ethyl-amino]benzoic acid Openeye Name: 3-[(6,8-dimethyl-2-oxaspiro[2.5]octa-5,7-diene-1-carbonyl)-ethyl-amino]benzoic acid CAS Name: 3-[[(6,8-dimethyl-2-oxaspiro[2.5]octa-5,7-dien-1-yl)-oxomethyl]-ethylamino]benzoic acid IUPAC Name: 3-[(6,8-dimethyl-2-oxaspiro[2.5]octa-5,7-diene-1-carbonyl)-ethylamino]benzoic acid Traditional Name: 3-[(6,8-dimethyl-2-oxaspiro[2.5]octa-5,7-diene-1-carbonyl)-ethyl-amino]benzoic acid Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C(=O)O)C(=O)C2C3(O2)CC=C(C=C3C)C

Isomeric SMILES

CCN(C1=CC=CC(=C1)C(=O)O)C(=O)C2C3(O2)CC=C(C=C3C)C

InChI

InChI=1S/C19H21NO4/c1-4-20(15-7-5-6-14(11-15)18(22)23)17(21)16-19(24-16)9-8-12(2)10-13(19)3/h5-8,10-11,16H,4,9H2,1-3H3,(H,22,23)