[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] (E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=CC(=O)OC(C)C(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=C/C(=O)O[C@H](C)C(=O)NCC=C

InChI

InChI=1S/C21H30N2O3/c1-5-13-22-21(25)17(4)26-20(24)12-11-18-14-15(2)23(16(18)3)19-9-7-6-8-10-19/h5,11-12,14,17,19H,1,6-10,13H2,2-4H3,(H,22,25)/b12-11+/t17-/m1/s1