1-(4-aminophenyl)-2-(hydroxymethyl)-18-methyl-2-oxidanyl-nonadecane-1,3-dione

Systemtic Name: 1-(4-aminophenyl)-2-(hydroxymethyl)-18-methyl-2-oxidanyl-nonadecane-1,3-dione Openeye Name: 1-(4-aminophenyl)-2-hydroxy-2-(hydroxymethyl)-18-methyl-nonadecane-1,3-dione CAS Name: 1-(4-aminophenyl)-2-hydroxy-2-(hydroxymethyl)-18-methylnonadecane-1,3-dione IUPAC Name: 1-(4-aminophenyl)-2-hydroxy-2-(hydroxymethyl)-18-methylnonadecane-1,3-dione Traditional Name: 1-(4-aminophenyl)-2-hydroxy-18-methyl-2-methylol-nonadecane-1,3-dione Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)C(CO)(C(=O)C1=CC=C(C=C1)N)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)C(CO)(C(=O)C1=CC=C(C=C1)N)O

InChI

InChI=1S/C27H45NO4/c1-22(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-25(30)27(32,21-29)26(31)23-17-19-24(28)20-18-23/h17-20,22,29,32H,3-16,21,28H2,1-2H3