1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl (E)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)acrylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C28H26N4O4/c1-5-35-23-12-10-22(11-13-23)32-17(2)14-20(18(32)3)15-21(16-29)28(34)36-19(4)26-30-25-9-7-6-8-24(25)27(33)31-26/h6-15,19H,5H2,1-4H3,(H,30,31,33)/b21-15+