methyl 4-methyl-3-[[(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]benzoate

Systemtic Name: methyl 4-methyl-3-[[(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]benzoate Openeye Name: methyl 4-methyl-3-[[(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]benzoate CAS Name: 4-methyl-3-[[(2S)-1-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]benzoate Traditional Name: 4-methyl-3-[[(2S)-2-[[(E)-3-phenylacryloyl]amino]propanoyl]amino]benzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](C)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4/c1-14-9-11-17(21(26)27-3)13-18(14)23-20(25)15(2)22-19(24)12-10-16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,22,24)(H,23,25)/b12-10+/t15-/m0/s1