[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN2O4/c22-17-3-1-2-16(14-17)4-9-21(26)28-15-20(25)23-18-5-7-19(8-6-18)24-10-12-27-13-11-24/h1-9,14H,10-13,15H2,(H,23,25)/b9-4+