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

Systemtic Name: ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-bromanyl-1-(phenylmethyl)indol-5-yl]oxybutanoate Openeye Name: ethyl 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-bromo-indol-5-yl]oxybutanoate CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-bromo-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-bromoindol-5-yl]oxybutanoate Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-bromo-indol-5-yl]oxybutyric acid ethyl ester Formula: C23H25BrN2O4 MolecularWeight: 473.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC2=C(C=C1)N(C(=C2CC(=O)N)Br)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCOC1=CC2=C(C=C1)N(C(=C2CC(=O)N)Br)CC3=CC=CC=C3

InChI

InChI=1S/C23H25BrN2O4/c1-2-29-22(28)9-6-12-30-17-10-11-20-18(13-17)19(14-21(25)27)23(24)26(20)15-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,2,6,9,12,14-15H2,1H3,(H2,25,27)