2-[[(E)-2-[(4-methylphenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]butanoic acid

Systemtic Name: 2-[[(E)-2-[(4-methylphenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]butanoic acid Openeye Name: 2-[[(E)-2-[(4-methylbenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]butanoic acid CAS Name: 2-[[(E)-2-[[(4-methylphenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]butanoic acid IUPAC Name: 2-[[(E)-2-[(4-methylbenzoyl)amino]-3-phenylprop-2-enoyl]amino]butanoic acid Traditional Name: 2-[[(E)-3-phenyl-2-(p-toluoylamino)acryloyl]amino]butyric acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C(=CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H22N2O4/c1-3-17(21(26)27)22-20(25)18(13-15-7-5-4-6-8-15)23-19(24)16-11-9-14(2)10-12-16/h4-13,17H,3H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/b18-13+