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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)OC(C)C(=O)NC3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)O[C@H](C)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H30N2O3/c1-14-13-17(15(2)23(14)19-10-11-19)9-12-20(24)26-16(3)21(25)22-18-7-5-4-6-8-18/h9,12-13,16,18-19H,4-8,10-11H2,1-3H3,(H,22,25)/b12-9+/t16-/m1/s1