3-(4-methoxycarbonylphenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid

Systemtic Name: 3-(4-methoxycarbonylphenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid Openeye Name: 3-(allylamino)-2-[(allylamino)methyl]-3-(4-methoxycarbonylphenyl)propanoic acid CAS Name: 3-(4-methoxycarbonylphenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid IUPAC Name: 3-(4-methoxycarbonylphenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid Traditional Name: 3-(allylamino)-2-[(allylamino)methyl]-3-(4-carbomethoxyphenyl)propionic acid Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(CNCC=C)C(=O)O)NCC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(CNCC=C)C(=O)O)NCC=C

InChI

InChI=1S/C18H24N2O4/c1-4-10-19-12-15(17(21)22)16(20-11-5-2)13-6-8-14(9-7-13)18(23)24-3/h4-9,15-16,19-20H,1-2,10-12H2,3H3,(H,21,22)