2-[4-[2-acetamido-3-[4-(2-methoxycarbonyl-3-oxidanyl-phenoxy)butylamino]-3-oxidanylidene-propyl]-2-oxidanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-acetamido-3-[4-(2-methoxycarbonyl-3-oxidanyl-phenoxy)butylamino]-3-oxidanylidene-propyl]-2-oxidanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-acetamido-3-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)butylamino]-3-oxo-propyl]-2-hydroxy-phenoxy]acetic acid CAS Name: 2-[4-[2-acetamido-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]-2-hydroxyphenoxy]acetic acid IUPAC Name: 2-[4-[2-acetamido-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]-2-hydroxyphenoxy]acetic acid Traditional Name: 2-[4-[2-acetamido-3-[4-(2-carbomethoxy-3-hydroxy-phenoxy)butylamino]-3-keto-propyl]-2-hydroxy-phenoxy]acetic acid Formula: C25H30N2O10 MolecularWeight: 518.5131

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)OCC(=O)O)O)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C=C1)OCC(=O)O)O)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O

InChI

InChI=1S/C25H30N2O10/c1-15(28)27-17(12-16-8-9-20(19(30)13-16)37-14-22(31)32)24(33)26-10-3-4-11-36-21-7-5-6-18(29)23(21)25(34)35-2/h5-9,13,17,29-30H,3-4,10-12,14H2,1-2H3,(H,26,33)(H,27,28)(H,31,32)