[2-(chrysen-6-ylmethylamino)-2-methyl-1,3-bis(oxidanyl)propyl] 2-oxidanylpropanoate

Systemtic Name: [2-(chrysen-6-ylmethylamino)-2-methyl-1,3-bis(oxidanyl)propyl] 2-oxidanylpropanoate Openeye Name: [2-(chrysen-6-ylmethylamino)-1,3-dihydroxy-2-methyl-propyl] 2-hydroxypropanoate CAS Name: 2-hydroxypropanoic acid [2-(6-chrysenylmethylamino)-1,3-dihydroxy-2-methylpropyl] ester IUPAC Name: [2-(chrysen-6-ylmethylamino)-1,3-dihydroxy-2-methylpropyl] 2-hydroxypropanoate Traditional Name: 2-hydroxypropionic acid [2-(chrysen-6-ylmethylamino)-1,3-dihydroxy-2-methyl-propyl] ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C(C)(CO)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41)O)O

Isomeric SMILES

CC(C(=O)OC(C(C)(CO)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41)O)O

InChI

InChI=1S/C26H27NO5/c1-16(29)24(30)32-25(31)26(2,15-28)27-14-18-13-23-19-8-4-3-7-17(19)11-12-22(23)21-10-6-5-9-20(18)21/h3-13,16,25,27-29,31H,14-15H2,1-2H3