butyl 3,4,7-trimethyl-2-oxidanylidene-5-propoxy-chromene-6-carboxylate; propan-2-amine

Systemtic Name: butyl 3,4,7-trimethyl-2-oxidanylidene-5-propoxy-chromene-6-carboxylate; propan-2-amine Openeye Name: butyl 3,4,7-trimethyl-2-oxo-5-propoxy-chromene-6-carboxylate; propan-2-amine CAS Name: 2-propanamine; 3,4,7-trimethyl-2-oxo-5-propoxy-1-benzopyran-6-carboxylic acid butyl ester IUPAC Name: butyl 3,4,7-trimethyl-2-oxo-5-propoxychromene-6-carboxylate; propan-2-amine Traditional Name: isopropylamine; 2-keto-3,4,7-trimethyl-5-propoxy-chromene-6-carboxylic acid butyl ester Formula: C23H35NO5 MolecularWeight: 405.5277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C2=C(C=C1C)OC(=O)C(=C2C)C)OCCC.CC(C)N

Isomeric SMILES

CCCCOC(=O)C1=C(C2=C(C=C1C)OC(=O)C(=C2C)C)OCCC.CC(C)N

InChI

InChI=1S/C20H26O5.C3H9N/c1-6-8-10-24-20(22)16-12(3)11-15-17(18(16)23-9-7-2)13(4)14(5)19(21)25-15;1-3(2)4/h11H,6-10H2,1-5H3;3H,4H2,1-2H3