(phenylmethyl) 3-(1H-indol-3-yl)-2-(3-pyridin-4-ylpropoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-(3-pyridin-4-ylpropoxycarbonylamino)propanoate Openeye Name: benzyl 3-(1H-indol-3-yl)-2-[3-(4-pyridyl)propoxycarbonylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(3-pyridin-4-ylpropoxy)methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-(3-pyridin-4-ylpropoxycarbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[3-(4-pyridyl)propoxycarbonylamino]propionic acid benzyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCCCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCCCC4=CC=NC=C4

InChI

InChI=1S/C27H27N3O4/c31-26(34-19-21-7-2-1-3-8-21)25(17-22-18-29-24-11-5-4-10-23(22)24)30-27(32)33-16-6-9-20-12-14-28-15-13-20/h1-5,7-8,10-15,18,25,29H,6,9,16-17,19H2,(H,30,32)