methyl (2S,4R)-1-[(2S)-2-azanyl-2-cyclohexyl-ethanoyl]-4-(7-ethenylisoquinolin-1-yl)oxy-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(2S)-2-azanyl-2-cyclohexyl-ethanoyl]-4-(7-ethenylisoquinolin-1-yl)oxy-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(2S)-2-amino-2-cyclohexyl-acetyl]-4-[(7-vinyl-1-isoquinolyl)oxy]pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-[(2S)-2-amino-2-cyclohexyl-1-oxoethyl]-4-[(7-ethenyl-1-isoquinolinyl)oxy]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-(7-ethenylisoquinolin-1-yl)oxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-[(2S)-2-amino-2-cyclohexyl-acetyl]-4-[(7-vinyl-1-isoquinolyl)oxy]pyrrolidine-2-carboxylic acid methyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)N)OC3=NC=CC4=C3C=C(C=C4)C=C

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C2CCCCC2)N)OC3=NC=CC4=C3C=C(C=C4)C=C

InChI

InChI=1S/C25H31N3O4/c1-3-16-9-10-17-11-12-27-23(20(17)13-16)32-19-14-21(25(30)31-2)28(15-19)24(29)22(26)18-7-5-4-6-8-18/h3,9-13,18-19,21-22H,1,4-8,14-15,26H2,2H3/t19-,21+,22+/m1/s1