(E)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)methyl-prop-2-enyl-amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)methyl-prop-2-enyl-amino]but-2-enoic acid Openeye Name: (E)-4-[allyl-[(4-isopropylphenyl)methyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]but-2-enoic acid Traditional Name: (E)-4-[allyl-(4-isopropylbenzyl)amino]-4-keto-but-2-enoic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(CC=C)C(=O)C=CC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(CC=C)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H21NO3/c1-4-11-18(16(19)9-10-17(20)21)12-14-5-7-15(8-6-14)13(2)3/h4-10,13H,1,11-12H2,2-3H3,(H,20,21)/b10-9+