ethyl 2-[(1-oxidanylidene-3-phenyl-5,6-dihydro-3H-[1,3]oxazolo[4,3-a]isoquinolin-10b-yl)methyl]benzoate

Systemtic Name: ethyl 2-[(1-oxidanylidene-3-phenyl-5,6-dihydro-3H-[1,3]oxazolo[4,3-a]isoquinolin-10b-yl)methyl]benzoate Openeye Name: ethyl 2-[(1-oxo-3-phenyl-5,6-dihydro-3H-oxazolo[4,3-a]isoquinolin-10b-yl)methyl]benzoate CAS Name: 2-[(1-oxo-3-phenyl-5,6-dihydro-3H-oxazolo[4,3-a]isoquinolin-10b-yl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(1-oxo-3-phenyl-5,6-dihydro-3H-[1,3]oxazolo[4,3-a]isoquinolin-10b-yl)methyl]benzoate Traditional Name: 2-[(1-keto-3-phenyl-5,6-dihydro-3H-oxazol[4,3-a]isoquinolin-10b-yl)methyl]benzoic acid ethyl ester Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1CC23C4=CC=CC=C4CCN2C(OC3=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1CC23C4=CC=CC=C4CCN2C(OC3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25NO4/c1-2-31-25(29)22-14-8-6-13-21(22)18-27-23-15-9-7-10-19(23)16-17-28(27)24(32-26(27)30)20-11-4-3-5-12-20/h3-15,24H,2,16-18H2,1H3