ethyl 2-azanyl-4-(4-butanoyloxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(4-butanoyloxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(4-butanoyloxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-7,7-dimethyl-5-oxo-4-[4-(1-oxobutoxy)phenyl]-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(4-butanoyloxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-(4-butyryloxyphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OCC)N

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OCC)N

InChI

InChI=1S/C24H29NO6/c1-5-7-18(27)30-15-10-8-14(9-11-15)19-20-16(26)12-24(3,4)13-17(20)31-22(25)21(19)23(28)29-6-2/h8-11,19H,5-7,12-13,25H2,1-4H3