[1-[2-(4-oxidanylidene-2-phenyl-2,3-dihydroquinazolin-1-yl)ethyl]-4-phenyl-piperidin-4-yl] propanoate sulfate dihydrate

Systemtic Name: [1-[2-(4-oxidanylidene-2-phenyl-2,3-dihydroquinazolin-1-yl)ethyl]-4-phenyl-piperidin-4-yl] propanoate sulfate dihydrate Openeye Name: [1-[2-(4-oxo-2-phenyl-2,3-dihydroquinazolin-1-yl)ethyl]-4-phenyl-4-piperidyl] propanoate sulfate dihydrate CAS Name: propanoic acid [1-[2-(4-oxo-2-phenyl-2,3-dihydroquinazolin-1-yl)ethyl]-4-phenyl-4-piperidinyl] ester sulfate dihydrate IUPAC Name: [1-[2-(4-oxo-2-phenyl-2,3-dihydroquinazolin-1-yl)ethyl]-4-phenylpiperidin-4-yl] propanoate sulfate dihydrate Traditional Name: propionic acid [1-[2-(4-keto-2-phenyl-2,3-dihydroquinazolin-1-yl)ethyl]-4-phenyl-4-piperidyl] ester sulfate dihydrate Formula: C30H37N3O9S-2 MolecularWeight: 615.69448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCN(CC1)CCN2C(NC(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5.O.O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC(=O)OC1(CCN(CC1)CCN2C(NC(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5.O.O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C30H33N3O3.H2O4S.2H2O/c1-2-27(34)36-30(24-13-7-4-8-14-24)17-19-32(20-18-30)21-22-33-26-16-10-9-15-25(26)29(35)31-28(33)23-11-5-3-6-12-23;1-5(2,3)4;;/h3-16,28H,2,17-22H2,1H3,(H,31,35);(H2,1,2,3,4);2*1H2/p-2