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

Systemtic Name: 4-[[(E)-2-[(4-methylphenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-2-[(4-methylbenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-2-[[(4-methylphenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-2-[(4-methylbenzoyl)amino]-3-phenylprop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(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:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NCCCC(=O)O

InChI

InChI=1S/C21H22N2O4/c1-15-9-11-17(12-10-15)20(26)23-18(14-16-6-3-2-4-7-16)21(27)22-13-5-8-19(24)25/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,22,27)(H,23,26)(H,24,25)/b18-14+