ethyl 2-azanyl-4-[2-[(3-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[2-[(3-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-4-[2-[(3-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[2-[(3-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[2-[(3-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[2-(3-fluorobenzyl)oxyphenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C27H28FNO5 MolecularWeight: 465.513323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3OCC4=CC(=CC=C4)F)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3OCC4=CC(=CC=C4)F)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C27H28FNO5/c1-4-32-26(31)24-22(23-19(30)13-27(2,3)14-21(23)34-25(24)29)18-10-5-6-11-20(18)33-15-16-8-7-9-17(28)12-16/h5-12,22H,4,13-15,29H2,1-3H3