(E)-but-2-enedioic acid; [1-[2-(3-methyl-4-oxidanylidene-2-phenyl-2H-quinazolin-1-yl)ethyl]-4-phenyl-piperidin-4-yl] propanoate

Systemtic Name: (E)-but-2-enedioic acid; [1-[2-(3-methyl-4-oxidanylidene-2-phenyl-2H-quinazolin-1-yl)ethyl]-4-phenyl-piperidin-4-yl] propanoate Openeye Name: fumaric acid; [1-[2-(3-methyl-4-oxo-2-phenyl-2H-quinazolin-1-yl)ethyl]-4-phenyl-4-piperidyl] propanoate CAS Name: (E)-2-butenedioic acid; propanoic acid [1-[2-(3-methyl-4-oxo-2-phenyl-2H-quinazolin-1-yl)ethyl]-4-phenyl-4-piperidinyl] ester IUPAC Name: (E)-but-2-enedioic acid; [1-[2-(3-methyl-4-oxo-2-phenyl-2H-quinazolin-1-yl)ethyl]-4-phenylpiperidin-4-yl] propanoate Traditional Name: fumaric acid; propionic acid [1-[2-(4-keto-3-methyl-2-phenyl-2H-quinazolin-1-yl)ethyl]-4-phenyl-4-piperidyl] ester Formula: C35H39N3O7 MolecularWeight: 613.70006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCN(CC1)CCN2C(N(C(=O)C3=CC=CC=C32)C)C4=CC=CC=C4)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)OC1(CCN(CC1)CCN2C(N(C(=O)C3=CC=CC=C32)C)C4=CC=CC=C4)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C31H35N3O3.C4H4O4/c1-3-28(35)37-31(25-14-8-5-9-15-25)18-20-33(21-19-31)22-23-34-27-17-11-10-16-26(27)30(36)32(2)29(34)24-12-6-4-7-13-24;5-3(6)1-2-4(7)8/h4-17,29H,3,18-23H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+