propan-2-yl 2-[8-[4-(dicyclohexylamino)-4-oxidanylidene-butoxy]-2-(phenylcarbamoylamino)-4H-quinazolin-3-yl]ethanoate

Systemtic Name: propan-2-yl 2-[8-[4-(dicyclohexylamino)-4-oxidanylidene-butoxy]-2-(phenylcarbamoylamino)-4H-quinazolin-3-yl]ethanoate Openeye Name: isopropyl 2-[8-[4-(dicyclohexylamino)-4-oxo-butoxy]-2-(phenylcarbamoylamino)-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-[[anilino(oxo)methyl]amino]-8-[4-(dicyclohexylamino)-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[8-[4-(dicyclohexylamino)-4-oxobutoxy]-2-(phenylcarbamoylamino)-4H-quinazolin-3-yl]acetate Traditional Name: 2-[8-[4-(dicyclohexylamino)-4-keto-butoxy]-2-(phenylcarbamoylamino)-4H-quinazolin-3-yl]acetic acid isopropyl ester Formula: C36H49N5O5 MolecularWeight: 631.80476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CN1CC2=C(C(=CC=C2)OCCCC(=O)N(C3CCCCC3)C4CCCCC4)N=C1NC(=O)NC5=CC=CC=C5

Isomeric SMILES

CC(C)OC(=O)CN1CC2=C(C(=CC=C2)OCCCC(=O)N(C3CCCCC3)C4CCCCC4)N=C1NC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C36H49N5O5/c1-26(2)46-33(43)25-40-24-27-14-12-21-31(34(27)38-35(40)39-36(44)37-28-15-6-3-7-16-28)45-23-13-22-32(42)41(29-17-8-4-9-18-29)30-19-10-5-11-20-30/h3,6-7,12,14-16,21,26,29-30H,4-5,8-11,13,17-20,22-25H2,1-2H3,(H2,37,38,39,44)