ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-bromanyl-6-chloranyl-1-(phenylmethyl)indol-5-yl]oxybutanoate

Systemtic Name: ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-bromanyl-6-chloranyl-1-(phenylmethyl)indol-5-yl]oxybutanoate Openeye Name: ethyl 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-bromo-6-chloro-indol-5-yl]oxybutanoate CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-bromo-6-chloro-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-bromo-6-chloroindol-5-yl]oxybutanoate Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-bromo-6-chloro-indol-5-yl]oxybutyric acid ethyl ester Formula: C23H24BrClN2O4 MolecularWeight: 507.80466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C=C2C(=C1)C(=C(N2CC3=CC=CC=C3)Br)CC(=O)N)Cl

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=C2C(=C1)C(=C(N2CC3=CC=CC=C3)Br)CC(=O)N)Cl

InChI

InChI=1S/C23H24BrClN2O4/c1-2-30-22(29)9-6-10-31-20-11-16-17(12-21(26)28)23(24)27(19(16)13-18(20)25)14-15-7-4-3-5-8-15/h3-5,7-8,11,13H,2,6,9-10,12,14H2,1H3,(H2,26,28)