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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] (E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)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 [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)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 [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C=CC1=C(N(C(=C1)C)C2CCCCC2)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)/C=C/C1=C(N(C(=C1)C)C2CCCCC2)C

InChI

InChI=1S/C21H32N2O3/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/h11-12,14,17,19H,5-10,13H2,1-4H3,(H,22,25)/b12-11+/t17-/m0/s1