4-[[(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(2-ethoxy-1-naphthyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-(2-ethoxy-1-naphthalenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(2-ethoxy-1-naphthyl)acryloyl]amino]benzoic acid Formula: C23H18N2O4 MolecularWeight: 386.40002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H18N2O4/c1-2-29-21-12-9-15-5-3-4-6-19(15)20(21)13-17(14-24)22(26)25-18-10-7-16(8-11-18)23(27)28/h3-13H,2H2,1H3,(H,25,26)(H,27,28)/b17-13+