3-(dimethylamino)propyl 3-oxidanyl-2-phenyl-propanoate; 2,3-diphenoxybutanedioate

Systemtic Name: 3-(dimethylamino)propyl 3-oxidanyl-2-phenyl-propanoate; 2,3-diphenoxybutanedioate Openeye Name: 3-(dimethylamino)propyl 3-hydroxy-2-phenyl-propanoate; 2,3-diphenoxybutanedioate CAS Name: 2,3-diphenoxybutanedioate; 3-hydroxy-2-phenylpropanoic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl 3-hydroxy-2-phenylpropanoate; 2,3-diphenoxybutanedioate Traditional Name: 2,3-diphenoxysuccinate; 3-hydroxy-2-phenyl-propionic acid 3-(dimethylamino)propyl ester Formula: C30H33NO9-2 MolecularWeight: 551.58432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)C(CO)C1=CC=CC=C1.C1=CC=C(C=C1)OC(C(C(=O)[O-])OC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CN(C)CCCOC(=O)C(CO)C1=CC=CC=C1.C1=CC=C(C=C1)OC(C(C(=O)[O-])OC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H14O6.C14H21NO3/c17-15(18)13(21-11-7-3-1-4-8-11)14(16(19)20)22-12-9-5-2-6-10-12;1-15(2)9-6-10-18-14(17)13(11-16)12-7-4-3-5-8-12/h1-10,13-14H,(H,17,18)(H,19,20);3-5,7-8,13,16H,6,9-11H2,1-2H3/p-2