methyl 3-bromanyl-2-[[(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)-phenylmethoxycarbonyl-amino]methyl]indole-1-carboxylate

Systemtic Name: methyl 3-bromanyl-2-[[(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)-phenylmethoxycarbonyl-amino]methyl]indole-1-carboxylate Openeye Name: methyl 2-[[benzyloxycarbonyl-(1-methoxycarbonyl-2-methyl-butyl)amino]methyl]-3-bromo-indole-1-carboxylate CAS Name: 3-bromo-2-[[(1-methoxy-3-methyl-1-oxopentan-2-yl)-phenylmethoxycarbonylamino]methyl]-1-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-bromo-2-[[(1-methoxy-3-methyl-1-oxopentan-2-yl)-phenylmethoxycarbonylamino]methyl]indole-1-carboxylate Traditional Name: 3-bromo-2-[[carbobenzoxy-(1-carbomethoxy-2-methyl-butyl)amino]methyl]indole-1-carboxylic acid methyl ester Formula: C26H29BrN2O6 MolecularWeight: 545.42226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)N(CC1=C(C2=CC=CC=C2N1C(=O)OC)Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)OC)N(CC1=C(C2=CC=CC=C2N1C(=O)OC)Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29BrN2O6/c1-5-17(2)23(24(30)33-3)28(25(31)35-16-18-11-7-6-8-12-18)15-21-22(27)19-13-9-10-14-20(19)29(21)26(32)34-4/h6-14,17,23H,5,15-16H2,1-4H3