3-[[4-[(E)-3-(4-methoxy-3-phenylmethoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(E)-3-(4-methoxy-3-phenylmethoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(E)-3-(3-benzyloxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(E)-3-(3-benzoxy-4-methoxy-phenyl)acryloyl]phenyl]sulfonylamino]propionic acid Formula: C26H25NO7S MolecularWeight: 495.5442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25NO7S/c1-33-24-14-8-19(17-25(24)34-18-20-5-3-2-4-6-20)7-13-23(28)21-9-11-22(12-10-21)35(31,32)27-16-15-26(29)30/h2-14,17,27H,15-16,18H2,1H3,(H,29,30)/b13-7+