[(2R,3S)-2-(2-bromophenyl)-4-oxidanylidene-1-prop-2-ynyl-2,3-dihydropyridin-3-yl] N-(4-methoxyphenyl)carbamate

Systemtic Name: [(2R,3S)-2-(2-bromophenyl)-4-oxidanylidene-1-prop-2-ynyl-2,3-dihydropyridin-3-yl] N-(4-methoxyphenyl)carbamate Openeye Name: [(2R,3S)-2-(2-bromophenyl)-4-oxo-1-prop-2-ynyl-2,3-dihydropyridin-3-yl] N-(4-methoxyphenyl)carbamate CAS Name: N-(4-methoxyphenyl)carbamic acid [(2R,3S)-2-(2-bromophenyl)-4-oxo-1-prop-2-ynyl-2,3-dihydropyridin-3-yl] ester IUPAC Name: [(2R,3S)-2-(2-bromophenyl)-4-oxo-1-prop-2-ynyl-2,3-dihydropyridin-3-yl] N-(4-methoxyphenyl)carbamate Traditional Name: N-(4-methoxyphenyl)carbamic acid [(2R,3S)-2-(2-bromophenyl)-4-keto-1-propargyl-2,3-dihydropyridin-3-yl] ester Formula: C22H19BrN2O4 MolecularWeight: 455.30126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)OC2C(N(C=CC2=O)CC#C)C3=CC=CC=C3Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)O[C@H]2[C@H](N(C=CC2=O)CC#C)C3=CC=CC=C3Br

InChI

InChI=1S/C22H19BrN2O4/c1-3-13-25-14-12-19(26)21(20(25)17-6-4-5-7-18(17)23)29-22(27)24-15-8-10-16(28-2)11-9-15/h1,4-12,14,20-21H,13H2,2H3,(H,24,27)/t20-,21-/m1/s1