4-[[(E)-2-[(4-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-[[(E)-2-[(4-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenyl-acryloyl]amino]butyric acid Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C(=O)NCCCC(=O)O)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O4/c21-16-10-8-15(9-11-16)19(26)23-17(13-14-5-2-1-3-6-14)20(27)22-12-4-7-18(24)25/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,27)(H,23,26)(H,24,25)/b17-13+