methyl (2S,4R)-1-[(2S)-2-azanyl-3,3-dimethyl-butanoyl]-4-(7-ethenylisoquinolin-1-yl)oxy-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(2S)-2-azanyl-3,3-dimethyl-butanoyl]-4-(7-ethenylisoquinolin-1-yl)oxy-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(2S)-2-amino-3,3-dimethyl-butanoyl]-4-[(7-vinyl-1-isoquinolyl)oxy]pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]-4-[(7-ethenyl-1-isoquinolinyl)oxy]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-(7-ethenylisoquinolin-1-yl)oxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-[(2S)-2-amino-3,3-dimethyl-butanoyl]-4-[(7-vinyl-1-isoquinolyl)oxy]pyrrolidine-2-carboxylic acid methyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)OC)OC2=NC=CC3=C2C=C(C=C3)C=C)N

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)OC)OC2=NC=CC3=C2C=C(C=C3)C=C)N

InChI

InChI=1S/C23H29N3O4/c1-6-14-7-8-15-9-10-25-20(17(15)11-14)30-16-12-18(22(28)29-5)26(13-16)21(27)19(24)23(2,3)4/h6-11,16,18-19H,1,12-13,24H2,2-5H3/t16-,18+,19-/m1/s1