[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propanoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propanoate Openeye Name: [2-(cycloheptylamino)-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-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-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-(cycloheptylamino)-2-keto-ethyl] ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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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)NC4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC(=O)NC4CCCCCC4

InChI

InChI=1S/C27H31N3O4/c1-19-12-14-21(15-13-19)30-24(29-23-11-7-6-10-22(23)27(30)33)16-17-26(32)34-18-25(31)28-20-8-4-2-3-5-9-20/h6-7,10-15,20H,2-5,8-9,16-18H2,1H3,(H,28,31)