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

Systemtic Name: methyl (2S)-2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[(4-hydroxy-3,5-dimethoxy-phenyl)methylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(4-hydroxy-3,5-dimethoxy-benzyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CNC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H24N2O5/c1-26-18-8-13(9-19(27-2)20(18)24)11-22-17(21(25)28-3)10-14-12-23-16-7-5-4-6-15(14)16/h4-9,12,17,22-24H,10-11H2,1-3H3/t17-/m0/s1