[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: 2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC(=O)NC2CCCC2)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC(=O)NC2CCCC2)C

InChI

InChI=1S/C21H28N4O4/c1-4-9-25-14(2)10-16(15(25)3)11-17(12-22)20(27)29-13-19(26)24-21(28)23-18-7-5-6-8-18/h10-11,18H,4-9,13H2,1-3H3,(H2,23,24,26,28)