[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] tetralin-6-carboxylate CAS Name: 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate Traditional Name: tetralin-6-carboxylic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C20H20BrNO3/c1-13-10-17(21)8-9-18(13)22-19(23)12-25-20(24)16-7-6-14-4-2-3-5-15(14)11-16/h6-11H,2-5,12H2,1H3,(H,22,23)