ethyl 2-[4-[1,6-dimethyl-2,4-bis(oxidanylidene)-3-piperidin-4-yl-quinazolin-1-ium-1-yl]-7-methoxy-quinazolin-6-yl]oxyethanoate

Systemtic Name: ethyl 2-[4-[1,6-dimethyl-2,4-bis(oxidanylidene)-3-piperidin-4-yl-quinazolin-1-ium-1-yl]-7-methoxy-quinazolin-6-yl]oxyethanoate Openeye Name: ethyl 2-[4-[1,6-dimethyl-2,4-dioxo-3-(4-piperidyl)quinazolin-1-ium-1-yl]-7-methoxy-quinazolin-6-yl]oxyacetate CAS Name: 2-[[4-[1,6-dimethyl-2,4-dioxo-3-(4-piperidinyl)-1-quinazolin-1-iumyl]-7-methoxy-6-quinazolinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,6-dimethyl-2,4-dioxo-3-piperidin-4-ylquinazolin-1-ium-1-yl)-7-methoxyquinazolin-6-yl]oxyacetate Traditional Name: 2-[4-[2,4-diketo-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-1-yl]-7-methoxy-quinazolin-6-yl]oxyacetic acid ethyl ester Formula: C28H32N5O6+ MolecularWeight: 534.58358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C2C(=C1)C(=NC=N2)[N+]3(C4=C(C=C(C=C4)C)C(=O)N(C3=O)C5CCNCC5)C)OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C2C(=C1)C(=NC=N2)[N+]3(C4=C(C=C(C=C4)C)C(=O)N(C3=O)C5CCNCC5)C)OC

InChI

InChI=1S/C28H32N5O6/c1-5-38-25(34)15-39-24-13-19-21(14-23(24)37-4)30-16-31-26(19)33(3)22-7-6-17(2)12-20(22)27(35)32(28(33)36)18-8-10-29-11-9-18/h6-7,12-14,16,18,29H,5,8-11,15H2,1-4H3/q+1