1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl (E)-2-cyano-3-[1-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-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-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(\C#N)/C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C27H24N4O4/c1-16-13-19(17(2)31(16)21-9-11-22(34-4)12-10-21)14-20(15-28)27(33)35-18(3)25-29-24-8-6-5-7-23(24)26(32)30-25/h5-14,18H,1-4H3,(H,29,30,32)/b20-14+