5-[(E)-3-[5-(2-azanylethoxy)-2-phenylmethoxy-phenyl]-3-oxidanylidene-prop-1-enyl]-2-(carboxymethyloxy)benzoate

Systemtic Name: 5-[(E)-3-[5-(2-azanylethoxy)-2-phenylmethoxy-phenyl]-3-oxidanylidene-prop-1-enyl]-2-(carboxymethyloxy)benzoate Openeye Name: 5-[(E)-3-[5-(2-aminoethoxy)-2-benzyloxy-phenyl]-3-oxo-prop-1-enyl]-2-(carboxymethyloxy)benzoate CAS Name: 5-[(E)-3-[5-(2-aminoethoxy)-2-phenylmethoxyphenyl]-3-oxoprop-1-enyl]-2-(carboxymethyloxy)benzoate IUPAC Name: 5-[(E)-3-[5-(2-aminoethoxy)-2-phenylmethoxyphenyl]-3-oxoprop-1-enyl]-2-(carboxymethyloxy)benzoate Traditional Name: 5-[(E)-3-[5-(2-aminoethoxy)-2-benzoxy-phenyl]-3-keto-prop-1-enyl]-2-(carboxymethyloxy)benzoate Formula: C27H24NO8- MolecularWeight: 490.48136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)OCCN)C(=O)C=CC3=CC(=C(C=C3)OCC(=O)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)OCCN)C(=O)/C=C/C3=CC(=C(C=C3)OCC(=O)O)C(=O)[O-]

InChI

InChI=1S/C27H25NO8/c28-12-13-34-20-8-11-24(35-16-19-4-2-1-3-5-19)21(15-20)23(29)9-6-18-7-10-25(36-17-26(30)31)22(14-18)27(32)33/h1-11,14-15H,12-13,16-17,28H2,(H,30,31)(H,32,33)/p-1/b9-6+