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

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-(3-pyridin-3-ylpropoxycarbonylamino)propanoate Openeye Name: benzyl 3-(1H-indol-3-yl)-2-[3-(3-pyridyl)propoxycarbonylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-[3-(3-pyridinyl)propoxy]methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-(3-pyridin-3-ylpropoxycarbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[3-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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