ethyl (1S,2S)-2-[[1H-indol-5-ylcarbonyl(phenethyl)amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[1H-indol-5-ylcarbonyl(phenethyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[1H-indole-5-carbonyl(phenethyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[1H-indol-5-yl(oxo)methyl]-phenethylamino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[1H-indole-5-carbonyl(phenethyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[1H-indole-5-carbonyl(phenethyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC=C4

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C24H26N2O3/c1-2-29-24(28)21-15-20(21)16-26(13-11-17-6-4-3-5-7-17)23(27)19-8-9-22-18(14-19)10-12-25-22/h3-10,12,14,20-21,25H,2,11,13,15-16H2,1H3/t20-,21+/m1/s1