methyl (Z)-2-acetamido-3-[1-azanyl-7-[2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]ethoxy]isoquinolin-6-yl]prop-2-enoate

Systemtic Name: methyl (Z)-2-acetamido-3-[1-azanyl-7-[2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]ethoxy]isoquinolin-6-yl]prop-2-enoate Openeye Name: methyl (Z)-2-acetamido-3-[1-amino-7-[2-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]ethoxy]-6-isoquinolyl]prop-2-enoate CAS Name: (Z)-2-acetamido-3-[1-amino-7-[2-[[oxo-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]amino]ethoxy]-6-isoquinolinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-acetamido-3-[1-amino-7-[2-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]ethoxy]isoquinolin-6-yl]prop-2-enoate Traditional Name: (Z)-2-acetamido-3-[1-amino-7-[2-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]ethoxy]-6-isoquinolyl]acrylic acid methyl ester Formula: C29H31N5O6 MolecularWeight: 545.58634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=C(C=C2C(=C1)C=CN=C2N)OCCNC(=O)C3=CC=C(C=C3)C(=O)N4CCCC4)C(=O)OC

Isomeric SMILES

CC(=O)N/C(=C\C1=C(C=C2C(=C1)C=CN=C2N)OCCNC(=O)C3=CC=C(C=C3)C(=O)N4CCCC4)/C(=O)OC

InChI

InChI=1S/C29H31N5O6/c1-18(35)33-24(29(38)39-2)16-22-15-21-9-10-31-26(30)23(21)17-25(22)40-14-11-32-27(36)19-5-7-20(8-6-19)28(37)34-12-3-4-13-34/h5-10,15-17H,3-4,11-14H2,1-2H3,(H2,30,31)(H,32,36)(H,33,35)/b24-16-