3-(8-cyano-2-oxidanylidene-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxycyclobutane-1-carboxylic acid

Systemtic Name: 3-(8-cyano-2-oxidanylidene-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxycyclobutane-1-carboxylic acid Openeye Name: 3-(8-cyano-2-oxo-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxycyclobutanecarboxylic acid CAS Name: 3-[(8-cyano-2-oxo-5-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]yl)oxy]-1-cyclobutanecarboxylic acid IUPAC Name: 3-(8-cyano-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxycyclobutane-1-carboxylic acid Traditional Name: 3-(8-cyano-2-keto-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxycyclobutanecarboxylic acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C3=C(C=CC(=C3NC(=O)N2)C#N)OC4CC(C4)C(=O)O

Isomeric SMILES

C1CCC2(CC1)C3=C(C=CC(=C3NC(=O)N2)C#N)OC4CC(C4)C(=O)O

InChI

InChI=1S/C19H21N3O4/c20-10-11-4-5-14(26-13-8-12(9-13)17(23)24)15-16(11)21-18(25)22-19(15)6-2-1-3-7-19/h4-5,12-13H,1-3,6-9H2,(H,23,24)(H2,21,22,25)