3-[[(E)-2-benzamido-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[[(E)-2-benzamido-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(E)-2-benzamido-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(E)-2-benzamido-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(E)-2-benzamido-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(E)-2-benzamido-3-p-phenetyl-acryloyl]amino]propionic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C(=O)NCCC(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C(=O)NCCC(=O)O)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5/c1-2-28-17-10-8-15(9-11-17)14-18(21(27)22-13-12-19(24)25)23-20(26)16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H,22,27)(H,23,26)(H,24,25)/b18-14+