methyl (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(E)-cinnamyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-cinnamyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NCC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-25-21(24)20(22-13-7-10-16-8-3-2-4-9-16)14-17-15-23-19-12-6-5-11-18(17)19/h2-12,15,20,22-23H,13-14H2,1H3/b10-7+/t20-/m0/s1