[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-[4-oxo-3-(p-tolyl)quinazolin-2-yl]propanoate CAS Name: 3-[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]propanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate Traditional Name: 3-[4-keto-3-(p-tolyl)quinazolin-2-yl]propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23N3O6/c1-17-6-9-19(10-7-17)30-24(29-21-5-3-2-4-20(21)27(30)33)12-13-26(32)34-15-25(31)28-18-8-11-22-23(14-18)36-16-35-22/h2-11,14H,12-13,15-16H2,1H3,(H,28,31)