ethyl (2E)-2-(4,4-diphenyl-1,3-dihydroquinazolin-2-ylidene)-3-oxidanylidene-heptanoate

Systemtic Name: ethyl (2E)-2-(4,4-diphenyl-1,3-dihydroquinazolin-2-ylidene)-3-oxidanylidene-heptanoate Openeye Name: ethyl (2E)-2-(4,4-diphenyl-1,3-dihydroquinazolin-2-ylidene)-3-oxo-heptanoate CAS Name: (2E)-2-(4,4-diphenyl-1,3-dihydroquinazolin-2-ylidene)-3-oxoheptanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-(4,4-diphenyl-1,3-dihydroquinazolin-2-ylidene)-3-oxoheptanoate Traditional Name: (2E)-2-(4,4-diphenyl-1,3-dihydroquinazolin-2-ylidene)-3-keto-enanthic acid ethyl ester Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(=C1NC2=CC=CC=C2C(N1)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCC(=O)/C(=C\1/NC2=CC=CC=C2C(N1)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)OCC

InChI

InChI=1S/C29H30N2O3/c1-3-5-20-25(32)26(28(33)34-4-2)27-30-24-19-13-12-18-23(24)29(31-27,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-19,30-31H,3-5,20H2,1-2H3/b27-26+