(E)-N-(1-adamantyl)-4-[(2-methoxyphenyl)amino]-2-oxidanylidene-4-phenyl-but-3-enamide

Systemtic Name: (E)-N-(1-adamantyl)-4-[(2-methoxyphenyl)amino]-2-oxidanylidene-4-phenyl-but-3-enamide Openeye Name: (E)-N-(1-adamantyl)-4-(2-methoxyanilino)-2-oxo-4-phenyl-but-3-enamide CAS Name: (E)-N-(1-adamantyl)-4-(2-methoxyanilino)-2-oxo-4-phenyl-3-butenamide IUPAC Name: (E)-N-(1-adamantyl)-4-(2-methoxyanilino)-2-oxo-4-phenylbut-3-enamide Traditional Name: (E)-N-(1-adamantyl)-2-keto-4-(o-anisidino)-4-phenyl-but-3-enamide Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=CC(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N/C(=C/C(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)/C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O3/c1-32-25-10-6-5-9-22(25)28-23(21-7-3-2-4-8-21)14-24(30)26(31)29-27-15-18-11-19(16-27)13-20(12-18)17-27/h2-10,14,18-20,28H,11-13,15-17H2,1H3,(H,29,31)/b23-14+