2-[carboxymethyl-[2-oxidanylidene-2-[4-(12-phenoxydodecoxy)phenyl]ethanoyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-oxidanylidene-2-[4-(12-phenoxydodecoxy)phenyl]ethanoyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-oxo-2-[4-(12-phenoxydodecoxy)phenyl]acetyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[1,2-dioxo-2-[4-(12-phenoxydodecoxy)phenyl]ethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-oxo-2-[4-(12-phenoxydodecoxy)phenyl]acetyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-keto-2-[4-(12-phenoxydodecoxy)phenyl]acetyl]amino]acetic acid Formula: C30H39NO8 MolecularWeight: 541.63256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCCCCCCCCOC2=CC=C(C=C2)C(=O)C(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCCCCCCCCCOC2=CC=C(C=C2)C(=O)C(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C30H39NO8/c32-27(33)22-31(23-28(34)35)30(37)29(36)24-16-18-26(19-17-24)39-21-13-8-6-4-2-1-3-5-7-12-20-38-25-14-10-9-11-15-25/h9-11,14-19H,1-8,12-13,20-23H2,(H,32,33)(H,34,35)