3-[4-(3-azanyl-6,6-dimethyl-3-propan-2-yl-1,2,4-trioxan-5-yl)anthracen-9-yl]propanoic acid

Systemtic Name: 3-[4-(3-azanyl-6,6-dimethyl-3-propan-2-yl-1,2,4-trioxan-5-yl)anthracen-9-yl]propanoic acid Openeye Name: 3-[4-(3-amino-3-isopropyl-6,6-dimethyl-1,2,4-trioxan-5-yl)-9-anthryl]propanoic acid CAS Name: 3-[4-(3-amino-6,6-dimethyl-3-propan-2-yl-1,2,4-trioxan-5-yl)-9-anthracenyl]propanoic acid IUPAC Name: 3-[4-(3-amino-6,6-dimethyl-3-propan-2-yl-1,2,4-trioxan-5-yl)anthracen-9-yl]propanoic acid Traditional Name: 3-[4-(3-amino-3-isopropyl-6,6-dimethyl-1,2,4-trioxan-5-yl)-9-anthryl]propionic acid Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(OC(C(OO1)(C)C)C2=CC=CC3=C(C4=CC=CC=C4C=C32)CCC(=O)O)N

Isomeric SMILES

CC(C)C1(OC(C(OO1)(C)C)C2=CC=CC3=C(C4=CC=CC=C4C=C32)CCC(=O)O)N

InChI

InChI=1S/C25H29NO5/c1-15(2)25(26)29-23(24(3,4)30-31-25)20-11-7-10-18-19(12-13-22(27)28)17-9-6-5-8-16(17)14-21(18)20/h5-11,14-15,23H,12-13,26H2,1-4H3,(H,27,28)