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

Systemtic Name: (phenylmethyl) 2-[2-azanyl-7-[4-oxidanylidene-4-(piperidin-1-ylamino)butanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: benzyl 2-[2-amino-7-[4-oxo-4-(1-piperidylamino)butanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-7-[1,4-dioxo-4-(1-piperidinylamino)butyl]-4H-quinazolin-3-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-amino-7-[4-oxo-4-(piperidin-1-ylamino)butanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-7-[4-keto-4-(piperidinoamino)butanoyl]-4H-quinazolin-3-yl]acetic acid benzyl ester Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=O)CCC(=O)C2=CC3=C(CN(C(=N3)N)CC(=O)OCC4=CC=CC=C4)C=C2

Isomeric SMILES

C1CCN(CC1)NC(=O)CCC(=O)C2=CC3=C(CN(C(=N3)N)CC(=O)OCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C26H31N5O4/c27-26-28-22-15-20(23(32)11-12-24(33)29-31-13-5-2-6-14-31)9-10-21(22)16-30(26)17-25(34)35-18-19-7-3-1-4-8-19/h1,3-4,7-10,15H,2,5-6,11-14,16-18H2,(H2,27,28)(H,29,33)