[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C22H24BrNO4/c1-14(2)18-7-5-6-15(3)22(18)24-20(25)13-28-21(26)11-8-16-12-17(23)9-10-19(16)27-4/h5-12,14H,13H2,1-4H3,(H,24,25)/b11-8+