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

Systemtic Name: ethyl (1S,2S)-2-[[isoquinolin-1-ylcarbonyl(phenethyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[isoquinoline-1-carbonyl(phenethyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[1-isoquinolinyl(oxo)methyl]-phenethylamino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[isoquinoline-1-carbonyl(phenethyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[isoquinoline-1-carbonyl(phenethyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CCC2=CC=CC=C2)C(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CCC2=CC=CC=C2)C(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C25H26N2O3/c1-2-30-25(29)22-16-20(22)17-27(15-13-18-8-4-3-5-9-18)24(28)23-21-11-7-6-10-19(21)12-14-26-23/h3-12,14,20,22H,2,13,15-17H2,1H3/t20-,22+/m1/s1