methyl 4-[2-[(3-azanyl-3-oxidanylidene-propyl)-(2-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate

Systemtic Name: methyl 4-[2-[(3-azanyl-3-oxidanylidene-propyl)-(2-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate Openeye Name: methyl 4-[2-(N-(3-amino-3-oxo-propyl)-2-methoxy-anilino)-2-oxo-ethoxy]-3-bromo-benzoate CAS Name: 4-[2-(N-(3-amino-3-oxopropyl)-2-methoxyanilino)-2-oxoethoxy]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(N-(3-amino-3-oxopropyl)-2-methoxyanilino)-2-oxoethoxy]-3-bromobenzoate Traditional Name: 4-[2-(N-(3-amino-3-keto-propyl)-2-methoxy-anilino)-2-keto-ethoxy]-3-bromo-benzoic acid methyl ester Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC(=O)N)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

Isomeric SMILES

COC1=CC=CC=C1N(CCC(=O)N)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C20H21BrN2O6/c1-27-17-6-4-3-5-15(17)23(10-9-18(22)24)19(25)12-29-16-8-7-13(11-14(16)21)20(26)28-2/h3-8,11H,9-10,12H2,1-2H3,(H2,22,24)