4-[[(E)-3-(4-bromophenyl)-2-[(2-methoxyphenyl)carbonylamino]prop-2-enoyl]amino]butanoate

Systemtic Name: 4-[[(E)-3-(4-bromophenyl)-2-[(2-methoxyphenyl)carbonylamino]prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-3-(4-bromophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-3-(4-bromophenyl)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-3-(4-bromophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-3-(4-bromophenyl)-2-(o-anisoylamino)acryloyl]amino]butyrate Formula: C21H20BrN2O5- MolecularWeight: 460.2979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=CC2=CC=C(C=C2)Br)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C21H21BrN2O5/c1-29-18-6-3-2-5-16(18)20(27)24-17(13-14-8-10-15(22)11-9-14)21(28)23-12-4-7-19(25)26/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,23,28)(H,24,27)(H,25,26)/p-1/b17-13+