cyclohexane; (E)-4-oxidanylidene-4-phenylazanyl-but-2-enoic acid

Systemtic Name: cyclohexane; (E)-4-oxidanylidene-4-phenylazanyl-but-2-enoic acid Openeye Name: (E)-4-anilino-4-oxo-but-2-enoic acid; cyclohexane CAS Name: (E)-4-anilino-4-oxo-2-butenoic acid; cyclohexane IUPAC Name: (E)-4-anilino-4-oxobut-2-enoic acid; cyclohexane Traditional Name: (E)-4-anilino-4-keto-but-2-enoic acid; cyclohexane Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC1.C1=CC=C(C=C1)NC(=O)C=CC(=O)O.C1=CC=C(C=C1)NC(=O)C=CC(=O)O

Isomeric SMILES

C1CCCCC1.C1=CC=C(C=C1)NC(=O)/C=C/C(=O)O.C1=CC=C(C=C1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/2C10H9NO3.C6H12/c2*12-9(6-7-10(13)14)11-8-4-2-1-3-5-8;1-2-4-6-5-3-1/h2*1-7H,(H,11,12)(H,13,14);1-6H2/b2*7-6+;