ethyl (4R)-5-(1-azanylisoquinolin-7-yl)oxy-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]pentanoate

Systemtic Name: ethyl (4R)-5-(1-azanylisoquinolin-7-yl)oxy-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]pentanoate Openeye Name: ethyl (4R)-5-[(1-amino-7-isoquinolyl)oxy]-4-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]pentanoate CAS Name: (4R)-5-[(1-amino-7-isoquinolinyl)oxy]-4-[[oxo-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (4R)-5-(1-aminoisoquinolin-7-yl)oxy-4-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]pentanoate Traditional Name: (4R)-5-[(1-amino-7-isoquinolyl)oxy]-4-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]valeric acid ethyl ester Formula: C28H32N4O5 MolecularWeight: 504.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(COC1=CC2=C(C=C1)C=CN=C2N)NC(=O)C3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)CC[C@H](COC1=CC2=C(C=C1)C=CN=C2N)NC(=O)C3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C28H32N4O5/c1-2-36-25(33)12-10-22(18-37-23-11-9-19-13-14-30-26(29)24(19)17-23)31-27(34)20-5-7-21(8-6-20)28(35)32-15-3-4-16-32/h5-9,11,13-14,17,22H,2-4,10,12,15-16,18H2,1H3,(H2,29,30)(H,31,34)/t22-/m1/s1