4-azanyl-2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[(E)-3-(2,4-dimethylphenyl)acryloyl]amino]-4-keto-butyric acid Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC(CC(=O)N)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC(CC(=O)N)C(=O)O)C

InChI

InChI=1S/C15H18N2O4/c1-9-3-4-11(10(2)7-9)5-6-14(19)17-12(15(20)21)8-13(16)18/h3-7,12H,8H2,1-2H3,(H2,16,18)(H,17,19)(H,20,21)/b6-5+