2-[3-[2-[4-[(4-chlorophenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethoxy]phenyl]ethanoic acid

Systemtic Name: 2-[3-[2-[4-[(4-chlorophenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethoxy]phenyl]ethanoic acid Openeye Name: 2-[3-[2-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]ethoxy]phenyl]acetic acid CAS Name: 2-[3-[2-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]ethoxy]phenyl]acetic acid IUPAC Name: 2-[3-[2-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]ethoxy]phenyl]acetic acid Traditional Name: 2-[3-[2-[4-(4-chlorobenzyl)-3-keto-1,4-benzoxazin-2-yl]ethoxy]phenyl]acetic acid Formula: C25H22ClNO5 MolecularWeight: 451.89888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(O2)CCOC3=CC=CC(=C3)CC(=O)O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(O2)CCOC3=CC=CC(=C3)CC(=O)O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClNO5/c26-19-10-8-17(9-11-19)16-27-21-6-1-2-7-22(21)32-23(25(27)30)12-13-31-20-5-3-4-18(14-20)15-24(28)29/h1-11,14,23H,12-13,15-16H2,(H,28,29)