(phenylmethyl) 2-[7-(4-azanyl-4-oxidanylidene-3-piperidin-1-yl-butoxy)-2-(ethylcarbamoylamino)-4H-quinazolin-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[7-(4-azanyl-4-oxidanylidene-3-piperidin-1-yl-butoxy)-2-(ethylcarbamoylamino)-4H-quinazolin-3-yl]ethanoate Openeye Name: benzyl 2-[7-[4-amino-4-oxo-3-(1-piperidyl)butoxy]-2-(ethylcarbamoylamino)-4H-quinazolin-3-yl]acetate CAS Name: 2-[7-[4-amino-4-oxo-3-(1-piperidinyl)butoxy]-2-(ethylcarbamoylamino)-4H-quinazolin-3-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[7-(4-amino-4-oxo-3-piperidin-1-ylbutoxy)-2-(ethylcarbamoylamino)-4H-quinazolin-3-yl]acetate Traditional Name: 2-[7-(4-amino-4-keto-3-piperidino-butoxy)-2-(ethylcarbamoylamino)-4H-quinazolin-3-yl]acetic acid benzyl ester Formula: C29H38N6O5 MolecularWeight: 550.64922

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(CN1CC(=O)OCC3=CC=CC=C3)C=CC(=C2)OCCC(C(=O)N)N4CCCCC4

Isomeric SMILES

CCNC(=O)NC1=NC2=C(CN1CC(=O)OCC3=CC=CC=C3)C=CC(=C2)OCCC(C(=O)N)N4CCCCC4

InChI

InChI=1S/C29H38N6O5/c1-2-31-29(38)33-28-32-24-17-23(39-16-13-25(27(30)37)34-14-7-4-8-15-34)12-11-22(24)18-35(28)19-26(36)40-20-21-9-5-3-6-10-21/h3,5-6,9-12,17,25H,2,4,7-8,13-16,18-20H2,1H3,(H2,30,37)(H2,31,32,33,38)