methyl (2S)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxybenzyl)amino]propionic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H26N2O5/c1-26-19-9-14(10-20(27-2)21(19)28-3)12-23-18(22(25)29-4)11-15-13-24-17-8-6-5-7-16(15)17/h5-10,13,18,23-24H,11-12H2,1-4H3/t18-/m0/s1