3-[[(E)-2-cyano-3-[3-ethoxy-5-iodanyl-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[(E)-2-cyano-3-[3-ethoxy-5-iodanyl-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-2-cyano-3-[3-ethoxy-5-iodo-4-(1-naphthylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-2-cyano-3-[3-ethoxy-5-iodo-4-(1-naphthalenylmethoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-2-cyano-3-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-2-cyano-3-[3-ethoxy-5-iodo-4-(1-naphthylmethoxy)phenyl]acryloyl]amino]benzoic acid Formula: C30H23IN2O5 MolecularWeight: 618.41849

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)I)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)O)I)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H23IN2O5/c1-2-37-27-15-19(13-23(17-32)29(34)33-24-11-6-9-21(16-24)30(35)36)14-26(31)28(27)38-18-22-10-5-8-20-7-3-4-12-25(20)22/h3-16H,2,18H2,1H3,(H,33,34)(H,35,36)/b23-13+