ethyl (4S)-2-azanyl-4-(4-ethoxy-3-methoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(4-ethoxy-3-methoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(4-ethoxy-3-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-4-(4-ethoxy-3-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC(=C2C(=O)OCC)N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2C3=C(CCCC3=O)OC(=C2C(=O)OCC)N)OC

InChI

InChI=1S/C21H25NO6/c1-4-26-14-10-9-12(11-16(14)25-3)17-18-13(23)7-6-8-15(18)28-20(22)19(17)21(24)27-5-2/h9-11,17H,4-8,22H2,1-3H3/t17-/m0/s1