[2-(hexylamino)-2-oxidanylidene-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(hexylamino)-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 [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] (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 [2-(hexylamino)-2-keto-ethyl] ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C=CC1=C(N(C(=C1)C)C2CC2)C

Isomeric SMILES

CCCCCCNC(=O)COC(=O)/C=C/C1=C(N(C(=C1)C)C2CC2)C

InChI

InChI=1S/C20H30N2O3/c1-4-5-6-7-12-21-19(23)14-25-20(24)11-8-17-13-15(2)22(16(17)3)18-9-10-18/h8,11,13,18H,4-7,9-10,12,14H2,1-3H3,(H,21,23)/b11-8+