methyl (E,2S)-6-(2-bromophenyl)-4-oxidanylidene-2-[(triphenylmethyl)amino]hex-5-enoate

Systemtic Name: methyl (E,2S)-6-(2-bromophenyl)-4-oxidanylidene-2-[(triphenylmethyl)amino]hex-5-enoate Openeye Name: methyl (E,2S)-6-(2-bromophenyl)-4-oxo-2-(tritylamino)hex-5-enoate CAS Name: (E,2S)-6-(2-bromophenyl)-4-oxo-2-[(triphenylmethyl)amino]-5-hexenoic acid methyl ester IUPAC Name: methyl (E,2S)-6-(2-bromophenyl)-4-oxo-2-(tritylamino)hex-5-enoate Traditional Name: (E,2S)-6-(2-bromophenyl)-4-keto-2-(tritylamino)hex-5-enoic acid methyl ester Formula: C32H28BrNO3 MolecularWeight: 554.47362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)C=CC1=CC=CC=C1Br)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC(=O)/C=C/C1=CC=CC=C1Br)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H28BrNO3/c1-37-31(36)30(23-28(35)22-21-24-13-11-12-20-29(24)33)34-32(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-22,30,34H,23H2,1H3/b22-21+/t30-/m0/s1