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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1OC(C(OO1)(C)C)NC2=CC=CC3=C(C4=CC=CC=C4C=C32)CCC(=O)O

Isomeric SMILES

CC(C)C1OC(C(OO1)(C)C)NC2=CC=CC3=C(C4=CC=CC=C4C=C32)CCC(=O)O

InChI

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