N-[3-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoylamino]phenyl]pentanamide

Systemtic Name: N-[3-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoylamino]phenyl]pentanamide Openeye Name: N-[3-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylamino]phenyl]pentanamide CAS Name: N-[3-[[3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylamino]phenyl]pentanamide Traditional Name: N-[3-[[3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]phenyl]valeramide Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C=CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H23BrN2O3/c1-3-4-8-20(25)23-17-6-5-7-18(14-17)24-21(26)12-9-15-13-16(22)10-11-19(15)27-2/h5-7,9-14H,3-4,8H2,1-2H3,(H,23,25)(H,24,26)