4-(2-azanyl-3-ethoxycarbonyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)benzoic acid

Systemtic Name: 4-(2-azanyl-3-ethoxycarbonyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)benzoic acid Openeye Name: 4-(2-amino-3-ethoxycarbonyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)benzoic acid CAS Name: 4-(2-amino-3-ethoxycarbonyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)benzoic acid IUPAC Name: 4-(2-amino-3-ethoxycarbonyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)benzoic acid Traditional Name: 4-(2-amino-3-carbethoxy-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)benzoic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)C(=O)O)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)C(=O)O)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C21H23NO6/c1-4-27-20(26)17-15(11-5-7-12(8-6-11)19(24)25)16-13(23)9-21(2,3)10-14(16)28-18(17)22/h5-8,15H,4,9-10,22H2,1-3H3,(H,24,25)