methyl 2-[3-methyl-8-oxidanyl-1-oxidanylidene-6-phenylmethoxy-5-(phenylmethyl)isoquinolin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-methyl-8-oxidanyl-1-oxidanylidene-6-phenylmethoxy-5-(phenylmethyl)isoquinolin-2-yl]ethanoate Openeye Name: methyl 2-(5-benzyl-6-benzyloxy-8-hydroxy-3-methyl-1-oxo-2-isoquinolyl)acetate CAS Name: 2-[8-hydroxy-3-methyl-1-oxo-6-phenylmethoxy-5-(phenylmethyl)-2-isoquinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-(5-benzyl-8-hydroxy-3-methyl-1-oxo-6-phenylmethoxyisoquinolin-2-yl)acetate Traditional Name: 2-(6-benzoxy-5-benzyl-8-hydroxy-1-keto-3-methyl-2-isoquinolyl)acetic acid methyl ester Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=C2CC3=CC=CC=C3)OCC4=CC=CC=C4)O)C(=O)N1CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C(=CC(=C2CC3=CC=CC=C3)OCC4=CC=CC=C4)O)C(=O)N1CC(=O)OC

InChI

InChI=1S/C27H25NO5/c1-18-13-22-21(14-19-9-5-3-6-10-19)24(33-17-20-11-7-4-8-12-20)15-23(29)26(22)27(31)28(18)16-25(30)32-2/h3-13,15,29H,14,16-17H2,1-2H3