ethyl (1S,2S)-2-[[2-(1H-indol-3-yl)ethanoyl-phenethyl-amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[2-(1H-indol-3-yl)ethanoyl-phenethyl-amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[[2-(1H-indol-3-yl)acetyl]-phenethyl-amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[2-(1H-indol-3-yl)-1-oxoethyl]-phenethylamino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[[2-(1H-indol-3-yl)acetyl]-phenethylamino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[[2-(1H-indol-3-yl)acetyl]-phenethyl-amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CCC2=CC=CC=C2)C(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CCC2=CC=CC=C2)C(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H28N2O3/c1-2-30-25(29)22-14-20(22)17-27(13-12-18-8-4-3-5-9-18)24(28)15-19-16-26-23-11-7-6-10-21(19)23/h3-11,16,20,22,26H,2,12-15,17H2,1H3/t20-,22+/m1/s1