ethyl 4-[3-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-2-cyano-3-keto-3-(3-methoxypropylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NCCCOC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)NCCCOC)C

InChI

InChI=1S/C23H27N3O4/c1-5-30-23(28)18-7-9-21(10-8-18)26-16(2)13-19(17(26)3)14-20(15-24)22(27)25-11-6-12-29-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,27)/b20-14+