ethyl 2-azanyl-3-[5-bromanyl-2-(3-phenylpropyl)-1H-indol-3-yl]propanoate

Systemtic Name: ethyl 2-azanyl-3-[5-bromanyl-2-(3-phenylpropyl)-1H-indol-3-yl]propanoate Openeye Name: ethyl 2-amino-3-[5-bromo-2-(3-phenylpropyl)-1H-indol-3-yl]propanoate CAS Name: 2-amino-3-[5-bromo-2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[5-bromo-2-(3-phenylpropyl)-1H-indol-3-yl]propanoate Traditional Name: 2-amino-3-[5-bromo-2-(3-phenylpropyl)-1H-indol-3-yl]propionic acid ethyl ester Formula: C22H25BrN2O2 MolecularWeight: 429.3501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(NC2=C1C=C(C=C2)Br)CCCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C(CC1=C(NC2=C1C=C(C=C2)Br)CCCC3=CC=CC=C3)N

InChI

InChI=1S/C22H25BrN2O2/c1-2-27-22(26)19(24)14-18-17-13-16(23)11-12-21(17)25-20(18)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-13,19,25H,2,6,9-10,14,24H2,1H3