phenyl 3-(2,2-dimethylpropanoyloxy)-6-ethynyl-10-oxidanylidene-6,7,8,9-tetrahydrophenanthridine-5-carboxylate

Systemtic Name: phenyl 3-(2,2-dimethylpropanoyloxy)-6-ethynyl-10-oxidanylidene-6,7,8,9-tetrahydrophenanthridine-5-carboxylate Openeye Name: phenyl 3-(2,2-dimethylpropanoyloxy)-6-ethynyl-10-oxo-6,7,8,9-tetrahydrophenanthridine-5-carboxylate CAS Name: 3-(2,2-dimethyl-1-oxopropoxy)-6-ethynyl-10-oxo-6,7,8,9-tetrahydrophenanthridine-5-carboxylic acid phenyl ester IUPAC Name: phenyl 3-(2,2-dimethylpropanoyloxy)-6-ethynyl-10-oxo-6,7,8,9-tetrahydrophenanthridine-5-carboxylate Traditional Name: 6-ethynyl-10-keto-3-pivaloyloxy-6,7,8,9-tetrahydrophenanthridine-5-carboxylic acid phenyl ester Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC2=C(C=C1)C3=C(CCCC3=O)C(N2C(=O)OC4=CC=CC=C4)C#C

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC2=C(C=C1)C3=C(CCCC3=O)C(N2C(=O)OC4=CC=CC=C4)C#C

InChI

InChI=1S/C27H25NO5/c1-5-21-19-12-9-13-23(29)24(19)20-15-14-18(32-25(30)27(2,3)4)16-22(20)28(21)26(31)33-17-10-7-6-8-11-17/h1,6-8,10-11,14-16,21H,9,12-13H2,2-4H3