(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl 2-(3-propan-2-yloxyphenyl)ethanoate

Systemtic Name: (6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl 2-(3-propan-2-yloxyphenyl)ethanoate Openeye Name: (6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl 2-(3-isopropoxyphenyl)acetate CAS Name: 2-(3-propan-2-yloxyphenyl)acetic acid (6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl ester IUPAC Name: (6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl 2-(3-propan-2-yloxyphenyl)acetate Traditional Name: 2-(3-isopropoxyphenyl)acetic acid (6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl ester Formula: C28H26ClNO4 MolecularWeight: 475.96334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)CC(=O)OCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)CC(=O)OCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C28H26ClNO4/c1-18(2)34-22-11-7-8-19(14-22)15-26(31)33-17-25-27(20-9-5-4-6-10-20)24-16-21(29)12-13-23(24)28(32)30(25)3/h4-14,16,18H,15,17H2,1-3H3