methyl 2-azanyl-4-(2-butoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-(2-butoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: methyl 2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(2-butoxyphenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid methyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C3=C(CCCC3=O)OC(=C2C(=O)OC)N

Isomeric SMILES

CCCCOC1=CC=CC=C1C2C3=C(CCCC3=O)OC(=C2C(=O)OC)N

InChI

InChI=1S/C21H25NO5/c1-3-4-12-26-15-10-6-5-8-13(15)17-18-14(23)9-7-11-16(18)27-20(22)19(17)21(24)25-2/h5-6,8,10,17H,3-4,7,9,11-12,22H2,1-2H3