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

Systemtic Name: ethyl 2-azanyl-4-[5-bromanyl-2-[(2-cyanophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-4-[5-bromo-2-[(2-cyanophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[5-bromo-2-[(2-cyanophenyl)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-[(2-cyanophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[5-bromo-2-(2-cyanobenzyl)oxy-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C28H27BrN2O5 MolecularWeight: 551.42838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4C#N)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4C#N)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C28H27BrN2O5/c1-4-34-27(33)25-23(24-20(32)12-28(2,3)13-22(24)36-26(25)31)19-11-18(29)9-10-21(19)35-15-17-8-6-5-7-16(17)14-30/h5-11,23H,4,12-13,15,31H2,1-3H3