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

Systemtic Name: ethyl 2-azanyl-4-[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-4-[5-bromo-2-(p-tolylmethoxy)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[5-bromo-2-(4-methylbenzyl)oxy-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C28H30BrNO5 MolecularWeight: 540.4455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)C)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)C)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C28H30BrNO5/c1-5-33-27(32)25-23(24-20(31)13-28(3,4)14-22(24)35-26(25)30)19-12-18(29)10-11-21(19)34-15-17-8-6-16(2)7-9-17/h6-12,23H,5,13-15,30H2,1-4H3