(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C=CC3=C(N(C(=C3)C)C4CC4)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)/C=C/C3=C(N(C(=C3)C)C4CC4)C

InChI

InChI=1S/C22H23N3O3/c1-13-5-4-6-18-21(13)23-19(24-22(18)27)12-28-20(26)10-7-16-11-14(2)25(15(16)3)17-8-9-17/h4-7,10-11,17H,8-9,12H2,1-3H3,(H,23,24,27)/b10-7+