3-[(1-ethyl-6,8-dimethyl-2-oxaspiro[2.5]octa-4,6-dien-1-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(1-ethyl-6,8-dimethyl-2-oxaspiro[2.5]octa-4,6-dien-1-yl)carbonylamino]benzoic acid Openeye Name: 3-[(1-ethyl-6,8-dimethyl-2-oxaspiro[2.5]octa-4,6-diene-1-carbonyl)amino]benzoic acid CAS Name: 3-[[(1-ethyl-6,8-dimethyl-2-oxaspiro[2.5]octa-4,6-dien-1-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(1-ethyl-6,8-dimethyl-2-oxaspiro[2.5]octa-4,6-diene-1-carbonyl)amino]benzoic acid Traditional Name: 3-[(1-ethyl-6,8-dimethyl-2-oxaspiro[2.5]octa-4,6-diene-1-carbonyl)amino]benzoic acid Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2(O1)C=CC(=CC2C)C)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCC1(C2(O1)C=CC(=CC2C)C)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

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