7,8-dimethyl-2-oxidanylidene-spiro[4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid; phenylmethanamine

Systemtic Name: 7,8-dimethyl-2-oxidanylidene-spiro[4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid; phenylmethanamine Openeye Name: 7,8-dimethyl-2-oxo-spiro[4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid; phenylmethanamine CAS Name: 7,8-dimethyl-2-oxo-5-spiro[4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-1,2'-oxirane]carboxylic acid; phenylmethanamine IUPAC Name: 7,8-dimethyl-2-oxospiro[4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid; phenylmethanamine Traditional Name: benzylamine; 2-keto-7,8-dimethyl-spiro[4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C=C(C3C2(C=C1C)C4(CO4)C(=O)OC3)C(=O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

CC1C2C=C(C3C2(C=C1C)C4(CO4)C(=O)OC3)C(=O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C15H16O5.C7H9N/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15;8-6-7-4-2-1-3-5-7/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17);1-5H,6,8H2