4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-tetradecyl-indol-5-yl]oxybutanoic acid

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-tetradecyl-indol-5-yl]oxybutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-2-methyl-1-tetradecyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-methyl-1-tetradecyl-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-2-methyl-1-tetradecylindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-2-methyl-1-myristyl-indol-5-yl]oxybutyric acid Formula: C29H46N2O4 MolecularWeight: 486.68654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C(=C(C2=C1C=CC(=C2)OCCCC(=O)O)CC(=O)N)C

Isomeric SMILES

CCCCCCCCCCCCCCN1C(=C(C2=C1C=CC(=C2)OCCCC(=O)O)CC(=O)N)C

InChI

InChI=1S/C29H46N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-31-23(2)25(22-28(30)32)26-21-24(17-18-27(26)31)35-20-15-16-29(33)34/h17-18,21H,3-16,19-20,22H2,1-2H3,(H2,30,32)(H,33,34)