(phenylmethyl) 3-(1H-indol-3-yl)-2-[2-(3-methylphenyl)ethoxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-[2-(3-methylphenyl)ethoxycarbonylamino]propanoate Openeye Name: benzyl 3-(1H-indol-3-yl)-2-[2-(m-tolyl)ethoxycarbonylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[2-(3-methylphenyl)ethoxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-[2-(3-methylphenyl)ethoxycarbonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[2-(m-tolyl)ethoxycarbonylamino]propionic acid benzyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O4/c1-20-8-7-11-21(16-20)14-15-33-28(32)30-26(27(31)34-19-22-9-3-2-4-10-22)17-23-18-29-25-13-6-5-12-24(23)25/h2-13,16,18,26,29H,14-15,17,19H2,1H3,(H,30,32)