methyl 3-[(4-bromanyl-1-methyl-indol-2-yl)carbonylamino]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-[(4-bromanyl-1-methyl-indol-2-yl)carbonylamino]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-[(4-bromo-1-methyl-indole-2-carbonyl)amino]propanoate CAS Name: 3-[[(4-bromo-1-methyl-2-indolyl)-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-1-methylindole-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[(4-bromo-1-methyl-indole-2-carbonyl)amino]propionic acid methyl ester Formula: C22H22BrN3O5 MolecularWeight: 488.33118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C1C(=O)NCC(C(=O)OC)NC(=O)OCC3=CC=CC=C3)C(=CC=C2)Br

Isomeric SMILES

CN1C2=C(C=C1C(=O)NCC(C(=O)OC)NC(=O)OCC3=CC=CC=C3)C(=CC=C2)Br

InChI

InChI=1S/C22H22BrN3O5/c1-26-18-10-6-9-16(23)15(18)11-19(26)20(27)24-12-17(21(28)30-2)25-22(29)31-13-14-7-4-3-5-8-14/h3-11,17H,12-13H2,1-2H3,(H,24,27)(H,25,29)