4-(diethylamino)but-2-ynyl 3-oxidanyl-2-phenyl-propanoate; 2,3-diphenoxybutanedioate

Systemtic Name: 4-(diethylamino)but-2-ynyl 3-oxidanyl-2-phenyl-propanoate; 2,3-diphenoxybutanedioate Openeye Name: 4-(diethylamino)but-2-ynyl 3-hydroxy-2-phenyl-propanoate; 2,3-diphenoxybutanedioate CAS Name: 2,3-diphenoxybutanedioate; 3-hydroxy-2-phenylpropanoic acid 4-(diethylamino)but-2-ynyl ester IUPAC Name: 4-(diethylamino)but-2-ynyl 3-hydroxy-2-phenylpropanoate; 2,3-diphenoxybutanedioate Traditional Name: 2,3-diphenoxysuccinate; 3-hydroxy-2-phenyl-propionic acid 4-(diethylamino)but-2-ynyl ester Formula: C33H35NO9-2 MolecularWeight: 589.6323

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCOC(=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

CCN(CC)CC#CCOC(=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/C17H23NO3.C16H14O6/c1-3-18(4-2)12-8-9-13-21-17(20)16(14-19)15-10-6-5-7-11-15;17-15(18)13(21-11-7-3-1-4-8-11)14(16(19)20)22-12-9-5-2-6-10-12/h5-7,10-11,16,19H,3-4,12-14H2,1-2H3;1-10,13-14H,(H,17,18)(H,19,20)/p-2