methyl 4-[[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-32(18-20-12-14-22(15-13-20)28(34)36-2)27(33)26(16-23-17-30-25-11-7-6-10-24(23)25)31-29(35)37-19-21-8-4-3-5-9-21/h3-15,17,26,30H,16,18-19H2,1-2H3,(H,31,35)