(E,4S)-N-(2-azanylethyl)-4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-pent-2-enamide

Systemtic Name: (E,4S)-N-(2-azanylethyl)-4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-pent-2-enamide Openeye Name: (E,4S)-N-(2-aminoethyl)-4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-pent-2-enamide CAS Name: (E,4S)-N-(2-aminoethyl)-4-[[oxo-(4-phenoxyanilino)methyl]amino]-5-phenyl-2-pentenamide IUPAC Name: (E,4S)-N-(2-aminoethyl)-4-[(4-phenoxyphenyl)carbamoylamino]-5-phenylpent-2-enamide Traditional Name: (E,4S)-N-(2-aminoethyl)-4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-pent-2-enamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C=CC(=O)NCCN)NC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](/C=C/C(=O)NCCN)NC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H28N4O3/c27-17-18-28-25(31)16-13-22(19-20-7-3-1-4-8-20)30-26(32)29-21-11-14-24(15-12-21)33-23-9-5-2-6-10-23/h1-16,22H,17-19,27H2,(H,28,31)(H2,29,30,32)/b16-13+/t22-/m1/s1