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

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-(3-phenylbutoxycarbonylamino)propanoate Openeye Name: benzyl 3-(1H-indol-3-yl)-2-(3-phenylbutoxycarbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(3-phenylbutoxy)methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-(3-phenylbutoxycarbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(3-phenylbutoxycarbonylamino)propionic acid benzyl ester Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(CCOC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O4/c1-21(23-12-6-3-7-13-23)16-17-34-29(33)31-27(28(32)35-20-22-10-4-2-5-11-22)18-24-19-30-26-15-9-8-14-25(24)26/h2-15,19,21,27,30H,16-18,20H2,1H3,(H,31,33)