methyl 3-benzamido-1-(1-bromanyl-4-methoxy-4-oxidanyl-but-3-en-2-yl)-3-piperidin-1-ylcarbonyl-cyclobutane-1-carboxylate

Systemtic Name: methyl 3-benzamido-1-(1-bromanyl-4-methoxy-4-oxidanyl-but-3-en-2-yl)-3-piperidin-1-ylcarbonyl-cyclobutane-1-carboxylate Openeye Name: methyl 3-benzamido-1-[1-(bromomethyl)-3-hydroxy-3-methoxy-allyl]-3-(piperidine-1-carbonyl)cyclobutanecarboxylate CAS Name: 3-benzamido-1-(1-bromo-4-hydroxy-4-methoxybut-3-en-2-yl)-3-[oxo(1-piperidinyl)methyl]-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-1-(1-bromo-4-hydroxy-4-methoxybut-3-en-2-yl)-3-(piperidine-1-carbonyl)cyclobutane-1-carboxylate Traditional Name: 3-benzamido-1-[1-(bromomethyl)-3-hydroxy-3-methoxy-allyl]-3-(piperidine-1-carbonyl)cyclobutanecarboxylic acid methyl ester Formula: C24H31BrN2O6 MolecularWeight: 523.41674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=CC(CBr)C1(CC(C1)(C(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3)C(=O)OC)O

Isomeric SMILES

COC(=CC(CBr)C1(CC(C1)(C(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3)C(=O)OC)O

InChI

InChI=1S/C24H31BrN2O6/c1-32-19(28)13-18(14-25)23(22(31)33-2)15-24(16-23,21(30)27-11-7-4-8-12-27)26-20(29)17-9-5-3-6-10-17/h3,5-6,9-10,13,18,28H,4,7-8,11-12,14-16H2,1-2H3,(H,26,29)