2-[4-[(E)-3-[5-(2-azanylethoxy)-2-(3-methylbutoxy)phenyl]-3-oxidanylidene-prop-1-enyl]-2-ethoxycarbonyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-[5-(2-azanylethoxy)-2-(3-methylbutoxy)phenyl]-3-oxidanylidene-prop-1-enyl]-2-ethoxycarbonyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-[5-(2-aminoethoxy)-2-isopentyloxy-phenyl]-3-oxo-prop-1-enyl]-2-ethoxycarbonyl-phenoxy]acetic acid CAS Name: 2-[4-[(E)-3-[5-(2-aminoethoxy)-2-(3-methylbutoxy)phenyl]-3-oxoprop-1-enyl]-2-ethoxycarbonylphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-[5-(2-aminoethoxy)-2-(3-methylbutoxy)phenyl]-3-oxoprop-1-enyl]-2-ethoxycarbonylphenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-[5-(2-aminoethoxy)-2-isoamoxy-phenyl]-3-keto-prop-1-enyl]-2-carbethoxy-phenoxy]acetic acid Formula: C27H33NO8 MolecularWeight: 499.55282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C=CC(=O)C2=C(C=CC(=C2)OCCN)OCCC(C)C)OCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)/C=C/C(=O)C2=C(C=CC(=C2)OCCN)OCCC(C)C)OCC(=O)O

InChI

InChI=1S/C27H33NO8/c1-4-33-27(32)22-15-19(6-9-25(22)36-17-26(30)31)5-8-23(29)21-16-20(34-14-12-28)7-10-24(21)35-13-11-18(2)3/h5-10,15-16,18H,4,11-14,17,28H2,1-3H3,(H,30,31)/b8-5+