methyl (2S)-3-[2-(2-methoxy-2-oxidanylidene-ethyl)-1H-indol-3-yl]-2-[(phenylmethyl)amino]propanoate

Systemtic Name: methyl (2S)-3-[2-(2-methoxy-2-oxidanylidene-ethyl)-1H-indol-3-yl]-2-[(phenylmethyl)amino]propanoate Openeye Name: methyl (2S)-2-(benzylamino)-3-[2-(2-methoxy-2-oxo-ethyl)-1H-indol-3-yl]propanoate CAS Name: (2S)-3-[2-(2-methoxy-2-oxoethyl)-1H-indol-3-yl]-2-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(benzylamino)-3-[2-(2-methoxy-2-oxoethyl)-1H-indol-3-yl]propanoate Traditional Name: (2S)-2-(benzylamino)-3-[2-(2-keto-2-methoxy-ethyl)-1H-indol-3-yl]propionic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C2=CC=CC=C2N1)CC(C(=O)OC)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=C(C2=CC=CC=C2N1)C[C@@H](C(=O)OC)NCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-27-21(25)13-19-17(16-10-6-7-11-18(16)24-19)12-20(22(26)28-2)23-14-15-8-4-3-5-9-15/h3-11,20,23-24H,12-14H2,1-2H3/t20-/m0/s1