[1-[[(E)-3-bromanyl-1-(butylamino)-1-oxidanylidene-hex-2-en-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl] naphthalene-1-carboxylate

Systemtic Name: [1-[[(E)-3-bromanyl-1-(butylamino)-1-oxidanylidene-hex-2-en-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl] naphthalene-1-carboxylate Openeye Name: [1-[[(E)-2-bromo-1-(butylcarbamoyl)pent-1-enyl]carbamoyl]-2-methyl-propyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [1-[[(E)-3-bromo-1-(butylamino)-1-oxohex-2-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-[[(E)-3-bromo-1-(butylamino)-1-oxohex-2-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [1-[[(E)-2-bromo-1-(butylcarbamoyl)pent-1-enyl]carbamoyl]-2-methyl-propyl] ester Formula: C26H33BrN2O4 MolecularWeight: 517.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=C(CCC)Br)NC(=O)C(C(C)C)OC(=O)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCCCNC(=O)/C(=C(/CCC)\Br)/NC(=O)C(C(C)C)OC(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C26H33BrN2O4/c1-5-7-16-28-24(30)22(21(27)11-6-2)29-25(31)23(17(3)4)33-26(32)20-15-10-13-18-12-8-9-14-19(18)20/h8-10,12-15,17,23H,5-7,11,16H2,1-4H3,(H,28,30)(H,29,31)/b22-21+