3-methylbutyl 2-(4-oxidanylidene-2-phenyl-5,6,7,8-tetrahydro-1H-quinazolin-8-yl)ethanoate

Systemtic Name: 3-methylbutyl 2-(4-oxidanylidene-2-phenyl-5,6,7,8-tetrahydro-1H-quinazolin-8-yl)ethanoate Openeye Name: isopentyl 2-(4-oxo-2-phenyl-5,6,7,8-tetrahydro-1H-quinazolin-8-yl)acetate CAS Name: 2-(4-oxo-2-phenyl-5,6,7,8-tetrahydro-1H-quinazolin-8-yl)acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(4-oxo-2-phenyl-5,6,7,8-tetrahydro-1H-quinazolin-8-yl)acetate Traditional Name: 2-(4-keto-2-phenyl-5,6,7,8-tetrahydro-1H-quinazolin-8-yl)acetic acid isoamyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1CCCC2=C1NC(=NC2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)CC1CCCC2=C1NC(=NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-14(2)11-12-26-18(24)13-16-9-6-10-17-19(16)22-20(23-21(17)25)15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,22,23,25)