2-[[4-(3-benzamido-3-oxidanylidene-propoxy)phenyl]methyl-(4-methoxyphenoxy)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[[4-(3-benzamido-3-oxidanylidene-propoxy)phenyl]methyl-(4-methoxyphenoxy)carbonyl-amino]ethanoic acid Openeye Name: 2-[[4-(3-benzamido-3-oxo-propoxy)phenyl]methyl-(4-methoxyphenoxy)carbonyl-amino]acetic acid CAS Name: 2-[[4-(3-benzamido-3-oxopropoxy)phenyl]methyl-[(4-methoxyphenoxy)-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(3-benzamido-3-oxopropoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetic acid Traditional Name: 2-[[4-(3-benzamido-3-keto-propoxy)benzyl]-(4-methoxyphenoxy)carbonyl-amino]acetic acid Formula: C27H26N2O8 MolecularWeight: 506.50394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)N(CC2=CC=C(C=C2)OCCC(=O)NC(=O)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)N(CC2=CC=C(C=C2)OCCC(=O)NC(=O)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C27H26N2O8/c1-35-21-11-13-23(14-12-21)37-27(34)29(18-25(31)32)17-19-7-9-22(10-8-19)36-16-15-24(30)28-26(33)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3,(H,31,32)(H,28,30,33)