ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-decyl-2-methyl-indol-5-yl]oxybutanoate

Systemtic Name: ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-decyl-2-methyl-indol-5-yl]oxybutanoate Openeye Name: ethyl 4-[3-(2-amino-2-oxo-ethyl)-1-decyl-2-methyl-indol-5-yl]oxybutanoate CAS Name: 4-[[3-(2-amino-2-oxoethyl)-1-decyl-2-methyl-5-indolyl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-2-oxoethyl)-1-decyl-2-methylindol-5-yl]oxybutanoate Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-decyl-2-methyl-indol-5-yl]oxybutyric acid ethyl ester Formula: C27H42N2O4 MolecularWeight: 458.63338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=C(C2=C1C=CC(=C2)OCCCC(=O)OCC)CC(=O)N)C

Isomeric SMILES

CCCCCCCCCCN1C(=C(C2=C1C=CC(=C2)OCCCC(=O)OCC)CC(=O)N)C

InChI

InChI=1S/C27H42N2O4/c1-4-6-7-8-9-10-11-12-17-29-21(3)23(20-26(28)30)24-19-22(15-16-25(24)29)33-18-13-14-27(31)32-5-2/h15-16,19H,4-14,17-18,20H2,1-3H3,(H2,28,30)