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

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(3-methoxyanilino)-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-(3-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyanilino)-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-keto-2-(m-anisidino)ethyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-5-9-25-15(2)10-17(16(25)3)11-18(13-23)22(27)29-14-21(26)24-19-7-6-8-20(12-19)28-4/h6-8,10-12H,5,9,14H2,1-4H3,(H,24,26)