propyl 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: propyl 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate Openeye Name: propyl 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]amino]benzoic acid propyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OCCC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OCCC)C

InChI

InChI=1S/C23H27N3O3/c1-5-11-26-16(3)13-19(17(26)4)14-20(15-24)22(27)25-21-9-7-18(8-10-21)23(28)29-12-6-2/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,27)/b20-14+