2-[3-[[[2-(4-propan-2-ylphenyl)carbonyl-4-prop-2-ynoxy-phenyl]amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[[2-(4-propan-2-ylphenyl)carbonyl-4-prop-2-ynoxy-phenyl]amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[2-(4-isopropylbenzoyl)-4-prop-2-ynoxy-anilino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[2-[oxo-(4-propan-2-ylphenyl)methyl]-4-prop-2-ynoxyanilino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[2-(4-propan-2-ylbenzoyl)-4-prop-2-ynoxyanilino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[(2-cumoyl-4-propargyloxy-anilino)methyl]phenoxy]acetic acid Formula: C28H27NO5 MolecularWeight: 457.51768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)OCC#C)NCC3=CC(=CC=C3)OCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)OCC#C)NCC3=CC(=CC=C3)OCC(=O)O

InChI

InChI=1S/C28H27NO5/c1-4-14-33-24-12-13-26(29-17-20-6-5-7-23(15-20)34-18-27(30)31)25(16-24)28(32)22-10-8-21(9-11-22)19(2)3/h1,5-13,15-16,19,29H,14,17-18H2,2-3H3,(H,30,31)