(2S)-N-[(4-dimethylaminophenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

Systemtic Name: (2S)-N-[(4-dimethylaminophenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide Openeye Name: (2S)-N-[(4-dimethylaminophenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide CAS Name: (2S)-N-[(4-dimethylaminophenyl)methyl]-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanamide IUPAC Name: (2S)-N-[(4-dimethylaminophenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide Traditional Name: (2S)-N-[4-(dimethylamino)benzyl]-2-[[(E)-3-phenylacryloyl]amino]propionamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)N(C)C)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)N(C)C)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2/c1-16(23-20(25)14-11-17-7-5-4-6-8-17)21(26)22-15-18-9-12-19(13-10-18)24(2)3/h4-14,16H,15H2,1-3H3,(H,22,26)(H,23,25)/b14-11+/t16-/m0/s1