(phenylmethyl) 3-(1H-indol-3-yl)-2-(3-phenylpropoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-(3-phenylpropoxycarbonylamino)propanoate Openeye Name: benzyl 3-(1H-indol-3-yl)-2-(3-phenylpropoxycarbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(3-phenylpropoxy)methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-(3-phenylpropoxycarbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(3-phenylpropoxycarbonylamino)propionic acid benzyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O4/c31-27(34-20-22-12-5-2-6-13-22)26(18-23-19-29-25-16-8-7-15-24(23)25)30-28(32)33-17-9-14-21-10-3-1-4-11-21/h1-8,10-13,15-16,19,26,29H,9,14,17-18,20H2,(H,30,32)