2-oxidanyl-3-(phenylcarbonyloxy)butanedioic acid; 2-(4-oxidanyl-4-phenyl-piperidin-1-yl)-1-(4-phenylmethoxyphenyl)propan-1-one

Systemtic Name: 2-oxidanyl-3-(phenylcarbonyloxy)butanedioic acid; 2-(4-oxidanyl-4-phenyl-piperidin-1-yl)-1-(4-phenylmethoxyphenyl)propan-1-one Openeye Name: 2-benzoyloxy-3-hydroxy-butanedioic acid; 1-(4-benzyloxyphenyl)-2-(4-hydroxy-4-phenyl-1-piperidyl)propan-1-one CAS Name: 2-benzoyloxy-3-hydroxybutanedioic acid; 2-(4-hydroxy-4-phenyl-1-piperidinyl)-1-(4-phenylmethoxyphenyl)-1-propanone IUPAC Name: 2-benzoyloxy-3-hydroxybutanedioic acid; 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)propan-1-one Traditional Name: 1-(4-benzoxyphenyl)-2-(4-hydroxy-4-phenyl-piperidino)propan-1-one; 2-benzoyloxy-3-hydroxy-succinic acid Formula: C49H49NO17 MolecularWeight: 923.90986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)N3CCC(CC3)(C4=CC=CC=C4)O.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)O)C(=O)O.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)N3CCC(CC3)(C4=CC=CC=C4)O.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)O)C(=O)O.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C27H29NO3.2C11H10O7/c1-21(28-18-16-27(30,17-19-28)24-10-6-3-7-11-24)26(29)23-12-14-25(15-13-23)31-20-22-8-4-2-5-9-22;2*12-7(9(13)14)8(10(15)16)18-11(17)6-4-2-1-3-5-6/h2-15,21,30H,16-20H2,1H3;2*1-5,7-8,12H,(H,13,14)(H,15,16)