but-2-enedioic acid; (2R)-1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol

Systemtic Name: but-2-enedioic acid; (2R)-1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol Openeye Name: but-2-enedioic acid; (2R)-1-[4-(2-isopropoxyethoxymethyl)phenoxy]-3-(isopropylamino)propan-2-ol CAS Name: but-2-enedioic acid; (2R)-1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]-2-propanol IUPAC Name: but-2-enedioic acid; (2R)-1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol Traditional Name: but-2-enedioic acid; (2R)-1-[4-(2-isopropoxyethoxymethyl)phenoxy]-3-(isopropylamino)propan-2-ol Formula: C40H66N2O12 MolecularWeight: 766.95824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NC[C@H](COC1=CC=C(C=C1)COCCOC(C)C)O.CC(C)NC[C@H](COC1=CC=C(C=C1)COCCOC(C)C)O.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/2C18H31NO4.C4H4O4/c2*1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4;5-3(6)1-2-4(7)8/h2*5-8,14-15,17,19-20H,9-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/t2*17-;/m11./s1