(3-propan-2-yloxyphenyl) N-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]carbamate

Systemtic Name: (3-propan-2-yloxyphenyl) N-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]carbamate Openeye Name: (3-isopropoxyphenyl) N-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]carbamate CAS Name: N-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]carbamic acid (3-propan-2-yloxyphenyl) ester IUPAC Name: (3-propan-2-yloxyphenyl) N-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]carbamate Traditional Name: N-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]carbamic acid (3-isopropoxyphenyl) ester Formula: C27H25ClN2O4 MolecularWeight: 476.9514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)OC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)OC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C27H25ClN2O4/c1-17(2)33-20-10-7-11-21(15-20)34-27(32)29-16-24-25(18-8-5-4-6-9-18)23-14-19(28)12-13-22(23)26(31)30(24)3/h4-15,17H,16H2,1-3H3,(H,29,32)