2-ethyl-2-[ethyl-[(E)-4-oxidanylidene-4-phenyl-but-2-enoyl]amino]butanedioic acid

Systemtic Name: 2-ethyl-2-[ethyl-[(E)-4-oxidanylidene-4-phenyl-but-2-enoyl]amino]butanedioic acid Openeye Name: 2-ethyl-2-[ethyl-[(E)-4-oxo-4-phenyl-but-2-enoyl]amino]butanedioic acid CAS Name: 2-[[(E)-1,4-dioxo-4-phenylbut-2-enyl]-ethylamino]-2-ethylbutanedioic acid IUPAC Name: 2-ethyl-2-[ethyl-[(E)-4-oxo-4-phenylbut-2-enoyl]amino]butanedioic acid Traditional Name: 2-ethyl-2-[ethyl-[(E)-4-keto-4-phenyl-but-2-enoyl]amino]succinic acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)(C(=O)O)N(CC)C(=O)C=CC(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(CC(=O)O)(C(=O)O)N(CC)C(=O)/C=C/C(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H21NO6/c1-3-18(17(24)25,12-16(22)23)19(4-2)15(21)11-10-14(20)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3,(H,22,23)(H,24,25)/b11-10+