2-[[(E)-3-(4-methoxy-3-oct-3-ynoxy-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(4-methoxy-3-oct-3-ynoxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(4-methoxy-3-oct-3-ynoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(4-methoxy-3-oct-3-ynoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(4-methoxy-3-oct-3-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(4-methoxy-3-oct-3-ynoxy-phenyl)acryloyl]amino]benzoic acid Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCCOC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

CCCCC#CCCOC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C25H27NO5/c1-3-4-5-6-7-10-17-31-23-18-19(13-15-22(23)30-2)14-16-24(27)26-21-12-9-8-11-20(21)25(28)29/h8-9,11-16,18H,3-5,10,17H2,1-2H3,(H,26,27)(H,28,29)/b16-14+