3-[[(E)-2-[(4-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]propyl ethanoate

Systemtic Name: 3-[[(E)-2-[(4-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]propyl ethanoate Openeye Name: 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]propyl acetate CAS Name: acetic acid 3-[[(E)-2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]propyl ester IUPAC Name: 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]propyl acetate Traditional Name: acetic acid 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenyl-acryloyl]amino]propyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCNC(=O)C(=CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(=O)OCCCNC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H21BrN2O4/c1-15(25)28-13-5-12-23-21(27)19(14-16-6-3-2-4-7-16)24-20(26)17-8-10-18(22)11-9-17/h2-4,6-11,14H,5,12-13H2,1H3,(H,23,27)(H,24,26)/b19-14+