2-[2-chloranyl-3-phenyl-6-[[(4-propoxyphenyl)methoxycarbonylamino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-chloranyl-3-phenyl-6-[[(4-propoxyphenyl)methoxycarbonylamino]methyl]phenyl]ethanoic acid Openeye Name: 2-[2-chloro-3-phenyl-6-[[(4-propoxyphenyl)methoxycarbonylamino]methyl]phenyl]acetic acid CAS Name: 2-[2-chloro-6-[[[oxo-[(4-propoxyphenyl)methoxy]methyl]amino]methyl]-3-phenylphenyl]acetic acid IUPAC Name: 2-[2-chloro-3-phenyl-6-[[(4-propoxyphenyl)methoxycarbonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[2-chloro-3-phenyl-6-[[(4-propoxybenzyl)oxycarbonylamino]methyl]phenyl]acetic acid Formula: C26H26ClNO5 MolecularWeight: 467.94134

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)COC(=O)NCC2=C(C(=C(C=C2)C3=CC=CC=C3)Cl)CC(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)COC(=O)NCC2=C(C(=C(C=C2)C3=CC=CC=C3)Cl)CC(=O)O

InChI

InChI=1S/C26H26ClNO5/c1-2-14-32-21-11-8-18(9-12-21)17-33-26(31)28-16-20-10-13-22(19-6-4-3-5-7-19)25(27)23(20)15-24(29)30/h3-13H,2,14-17H2,1H3,(H,28,31)(H,29,30)