3-[[(E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoyl]amino]propanoate

Systemtic Name: 3-[[(E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoyl]amino]propanoate Openeye Name: 3-[[(E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-benzamido-3-(2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]propanoate IUPAC Name: 3-[[(E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-benzamido-3-o-phenetyl-acryloyl]amino]propionate Formula: C21H21N2O5- MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=C(C(=O)NCCC(=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-2-28-18-11-7-6-10-16(18)14-17(21(27)22-13-12-19(24)25)23-20(26)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,22,27)(H,23,26)(H,24,25)/p-1/b17-14+