(phenylmethyl) 2-[2-azanyl-7-[5-(dihexylamino)-5-oxidanylidene-pentanoyl]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-azanyl-7-[5-(dihexylamino)-5-oxidanylidene-pentanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: benzyl 2-[2-amino-7-[5-(dihexylamino)-5-oxo-pentanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-7-[5-(dihexylamino)-1,5-dioxopentyl]-4H-quinazolin-3-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-amino-7-[5-(dihexylamino)-5-oxopentanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-7-[5-(dihexylamino)-5-keto-pentanoyl]-4H-quinazolin-3-yl]acetic acid benzyl ester Formula: C34H48N4O4 MolecularWeight: 576.76932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)CCCC(=O)C1=CC2=C(CN(C(=N2)N)CC(=O)OCC3=CC=CC=C3)C=C1

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)CCCC(=O)C1=CC2=C(CN(C(=N2)N)CC(=O)OCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C34H48N4O4/c1-3-5-7-12-21-37(22-13-8-6-4-2)32(40)18-14-17-31(39)28-19-20-29-24-38(34(35)36-30(29)23-28)25-33(41)42-26-27-15-10-9-11-16-27/h9-11,15-16,19-20,23H,3-8,12-14,17-18,21-22,24-26H2,1-2H3,(H2,35,36)