methyl 2-azanyl-4-[5-bromanyl-2-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-[5-bromanyl-2-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-4-[2-(2-anilino-2-oxo-ethoxy)-5-bromo-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[2-(2-anilino-2-keto-ethoxy)-5-bromo-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid methyl ester Formula: C27H27BrN2O6 MolecularWeight: 555.41708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=C(C=CC(=C3)Br)OCC(=O)NC4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=C(C=CC(=C3)Br)OCC(=O)NC4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C27H27BrN2O6/c1-27(2)12-18(31)23-20(13-27)36-25(29)24(26(33)34-3)22(23)17-11-15(28)9-10-19(17)35-14-21(32)30-16-7-5-4-6-8-16/h4-11,22H,12-14,29H2,1-3H3,(H,30,32)