2-[4-(4-oxidanylidenespiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)phenoxy]ethanoic acid

Systemtic Name: 2-[4-(4-oxidanylidenespiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)phenoxy]ethanoic acid Openeye Name: 2-[4-(4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)phenoxy]acetic acid CAS Name: 2-[4-(4-oxo-3-spiro[1H-quinazoline-2,1'-cyclohexane]yl)phenoxy]acetic acid IUPAC Name: 2-[4-(4-oxospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)phenoxy]acetic acid Traditional Name: 2-[4-(4-ketospiro[1H-quinazoline-2,1'-cyclohexane]-3-yl)phenoxy]acetic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OCC(=O)O

Isomeric SMILES

C1CCC2(CC1)NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OCC(=O)O

InChI

InChI=1S/C21H22N2O4/c24-19(25)14-27-16-10-8-15(9-11-16)23-20(26)17-6-2-3-7-18(17)22-21(23)12-4-1-5-13-21/h2-3,6-11,22H,1,4-5,12-14H2,(H,24,25)